6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine

C16H17N5S — CID 20604303

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(CSc2ccccc2)n1
InChIInChI=1S/C16H17N5S/c1-11-8-14(18-15-9-12(2)20-21-15)19-16(17-11)10-22-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyJZSDSUKPXWBIEQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.85
Rot. Bonds5

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 20604303) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
PubChem CID20604303
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(CSc2ccccc2)n1
InChIInChI=1S/C16H17N5S/c1-11-8-14(18-15-9-12(2)20-21-15)19-16(17-11)10-22-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyJZSDSUKPXWBIEQ-UHFFFAOYSA-N
XLogP3.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 10132660
[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-phenylmethanone
CID 170985113
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
4-amino-1-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-phenylbut-3-en-2-one
CID 143605485
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
CID 90161199
6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 70949618
2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
3-tert-butyl-5-(phenylsulfanylmethyl)-1H-pyrazole
CID 10944730
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine (CID 20604303) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(CSc2ccccc2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is JZSDSUKPXWBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-11-8-14(18-15-9-12(2)20-21-15)19-16(17-11)10-22-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 20604303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).