4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine

C9H12N6S — CID 80849539

IUPAC4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(Nc2ccn(C)n2)n1
InChIInChI=1S/C9H12N6S/c1-15-4-3-7(14-15)12-8-5-6(10)11-9(13-8)16-2/h3-5H,1-2H3,(H3,10,11,12,13,14)
InChIKeySEPAKMIYXJFTKA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.26
Rot. Bonds3

About 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80849539) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80849539
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(Nc2ccn(C)n2)n1
InChIInChI=1S/C9H12N6S/c1-15-4-3-7(14-15)12-8-5-6(10)11-9(13-8)16-2/h3-5H,1-2H3,(H3,10,11,12,13,14)
InChIKeySEPAKMIYXJFTKA-UHFFFAOYSA-N
XLogP1.26
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 80849150
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80763261
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80849539) is 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(Nc2ccn(C)n2)n1.
What is the InChIKey of 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is SEPAKMIYXJFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-15-4-3-7(14-15)12-8-5-6(10)11-9(13-8)16-2/h3-5H,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 236.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).