N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide

C11H15N3O2 — CID 110848985

IUPACN-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c15-10-9(6-12-7-13-10)11(16)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16)(H,12,13,15)
InChIKeyGMSFXKWVRHKUSL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.83
Rot. Bonds2

About N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide

N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110848985) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110848985
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c15-10-9(6-12-7-13-10)11(16)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16)(H,12,13,15)
InChIKeyGMSFXKWVRHKUSL-UHFFFAOYSA-N
XLogP0.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110848985) is N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc[nH]c1=O.
What is the InChIKey of N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GMSFXKWVRHKUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-9(6-12-7-13-10)11(16)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110848985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).