2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C18H27N5OS — CID 46998441

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(Cc2cnn(C)c2)CC(C)C)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)9-23(11-16-8-19-22(6)10-16)17(24)15(5)25-18-20-13(3)7-14(4)21-18/h7-8,10,12,15H,9,11H2,1-6H3
InChIKeyCCBFUJNATLIOGG-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.99
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 46998441) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID46998441
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)N(Cc2cnn(C)c2)CC(C)C)n1
InChIInChI=1S/C18H27N5OS/c1-12(2)9-23(11-16-8-19-22(6)10-16)17(24)15(5)25-18-20-13(3)7-14(4)21-18/h7-8,10,12,15H,9,11H2,1-6H3
InChIKeyCCBFUJNATLIOGG-UHFFFAOYSA-N
XLogP2.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 46998441) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cc1cc(C)nc(SC(C)C(=O)N(Cc2cnn(C)c2)CC(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is CCBFUJNATLIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-12(2)9-23(11-16-8-19-22(6)10-16)17(24)15(5)25-18-20-13(3)7-14(4)21-18/h7-8,10,12,15H,9,11H2,1-6H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 361.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 46998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).