N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C15H23N3O2 — CID 45496971

IUPACN-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-11(2)13-8-15(20)18(10-16-13)9-14(19)17-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyKDTXADSLCUACDK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.82
Rot. Bonds4

About N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 45496971) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID45496971
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-11(2)13-8-15(20)18(10-16-13)9-14(19)17-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyKDTXADSLCUACDK-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 45496971) is N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is CC(C)c1cc(=O)n(CC(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is KDTXADSLCUACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)13-8-15(20)18(10-16-13)9-14(19)17-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).