2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C13H18N6OS — CID 39067806

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-8(2)19-11(4-5-15-19)18-12(20)7-21-13-16-9(3)6-10(14)17-13/h4-6,8H,7H2,1-3H3,(H,18,20)(H2,14,16,17)
InChIKeyXFZBVICSMCYRBL-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 39067806) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID39067806
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C13H18N6OS/c1-8(2)19-11(4-5-15-19)18-12(20)7-21-13-16-9(3)6-10(14)17-13/h4-6,8H,7H2,1-3H3,(H,18,20)(H2,14,16,17)
InChIKeyXFZBVICSMCYRBL-UHFFFAOYSA-N
XLogP1.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-2-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43302810
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2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
CID 78801247
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2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
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2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
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2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
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5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
CID 63943347
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43304457
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 39067806) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is Cc1cc(N)nc(SCC(=O)Nc2ccnn2C(C)C)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is XFZBVICSMCYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-8(2)19-11(4-5-15-19)18-12(20)7-21-13-16-9(3)6-10(14)17-13/h4-6,8H,7H2,1-3H3,(H,18,20)(H2,14,16,17).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 306.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 39067806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).