2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide

C15H23N3O2 — CID 135874213

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCC[C@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O2/c1-9-5-4-6-12(7-9)18-14(19)8-13-10(2)16-11(3)17-15(13)20/h9,12H,4-8H2,1-3H3,(H,18,19)(H,16,17,20)/t9-,12-/m0/s1
InChIKeyGPDGDBIKHQURBY-CABZTGNLSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds3

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide (PubChem CID 135874213) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide
PubChem CID135874213
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCC[C@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O2/c1-9-5-4-6-12(7-9)18-14(19)8-13-10(2)16-11(3)17-15(13)20/h9,12H,4-8H2,1-3H3,(H,18,19)(H,16,17,20)/t9-,12-/m0/s1
InChIKeyGPDGDBIKHQURBY-CABZTGNLSA-N
XLogP1.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide (CID 135874213) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide is Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H](C)C2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide?
The InChIKey is GPDGDBIKHQURBY-CABZTGNLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-5-4-6-12(7-9)18-14(19)8-13-10(2)16-11(3)17-15(13)20/h9,12H,4-8H2,1-3H3,(H,18,19)(H,16,17,20)/t9-,12-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S,3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 135874213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).