N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide

C15H23N3O2 — CID 121120828

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ncn(CCNC(=O)C2CCCCC2)c(=O)c1C
InChIInChI=1S/C15H23N3O2/c1-11-12(2)17-10-18(15(11)20)9-8-16-14(19)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,16,19)
InChIKeyOMQLLKDERJDNDY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 121120828) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID121120828
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCc1ncn(CCNC(=O)C2CCCCC2)c(=O)c1C
InChIInChI=1S/C15H23N3O2/c1-11-12(2)17-10-18(15(11)20)9-8-16-14(19)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,16,19)
InChIKeyOMQLLKDERJDNDY-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide (CID 121120828) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide is Cc1ncn(CCNC(=O)C2CCCCC2)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is OMQLLKDERJDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-12(2)17-10-18(15(11)20)9-8-16-14(19)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 121120828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).