4-Amino-2-mercaptopyrimidine-5-carbonitrile
C₅H₄N₄S·152.180 g/mol·CID 2822202
IUPAC: 6-amino-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also known as: DTXSID40384912, RefChem:1070235, DTXCID10335936, 16462-26-3, 4-amino-2-sulfanylpyrimidine-5-carbonitrile (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
152.180g/mol
Exact Mass
152.015667Da
Monoisotopic Mass
152.015667Da
XLogP
-0.1
Polar Surface Area
106.0Ų
Complexity
279
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 152.2 g/mol
MW ≤ 500
✓ -0.1
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₅H₄N₄S
3,7-dihydropurine-6-thione
CID 667490 · 152.2 g/mol
1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135445058 · 152.2 g/mol
3,7-dihydropurine-2-thione
CID 3015569 · 152.2 g/mol
5-thiophen-2-yl-2H-tetrazole
CID 235702 · 152.2 g/mol
[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 350611 · 152.2 g/mol
5-thiophen-3-yl-2H-tetrazole
CID 542538 · 152.2 g/mol
7,9-dihydropurine-8-thione
CID 4265275 · 152.2 g/mol
2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 57116692 · 152.2 g/mol