N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide

C20H25N3O3 — CID 72880279

IUPACN-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(COc2ccccc2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H25N3O3/c1-2-23(15-9-5-3-6-10-15)20(25)17-13-21-18(22-19(17)24)14-26-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10,14H2,1H3,(H,21,22,24)
InChIKeyGGOWIKUGTBSFPC-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.14
Rot. Bonds6

About N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide

N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 72880279) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
PubChem CID72880279
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(COc2ccccc2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H25N3O3/c1-2-23(15-9-5-3-6-10-15)20(25)17-13-21-18(22-19(17)24)14-26-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10,14H2,1H3,(H,21,22,24)
InChIKeyGGOWIKUGTBSFPC-UHFFFAOYSA-N
XLogP3.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide (CID 72880279) is N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1cnc(COc2ccccc2)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is GGOWIKUGTBSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-23(15-9-5-3-6-10-15)20(25)17-13-21-18(22-19(17)24)14-26-16-11-7-4-8-12-16/h4,7-8,11-13,15H,2-3,5-6,9-10,14H2,1H3,(H,21,22,24).
What are the key properties of N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide?
N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72880279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).