2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

C16H20N4OS — CID 51190687

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
SMILESCc1cc(N)nc(SC(C)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-10-9-14(17)20-16(18-10)22-12(3)15(21)19-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyCNEPMZGIGJBULW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide (PubChem CID 51190687) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
PubChem CID51190687
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
SMILESCc1cc(N)nc(SC(C)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-10-9-14(17)20-16(18-10)22-12(3)15(21)19-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,19,21)(H2,17,18,20)
InChIKeyCNEPMZGIGJBULW-UHFFFAOYSA-N
XLogP2.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8731031
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 43028754
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-phenylpropyl]propanamide
CID 8731155
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 38968288

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide (CID 51190687) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide is Cc1cc(N)nc(SC(C)C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The InChIKey is CNEPMZGIGJBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-9-14(17)20-16(18-10)22-12(3)15(21)19-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,19,21)(H2,17,18,20).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide has a molecular weight of 316.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 51190687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).