2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide

C15H23N3O3 — CID 72548978

IUPAC2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide
SMILESCCCC1CCC(CNC(=O)n2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-11-4-6-12(7-5-11)10-16-14(20)18-9-8-13(19)17-15(18)21/h8-9,11-12H,2-7,10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyQWDJYGDOMJMHGN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.70
Rot. Bonds4

About 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide

2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide (PubChem CID 72548978) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide
PubChem CID72548978
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide
SMILESCCCC1CCC(CNC(=O)n2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-11-4-6-12(7-5-11)10-16-14(20)18-9-8-13(19)17-15(18)21/h8-9,11-12H,2-7,10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyQWDJYGDOMJMHGN-UHFFFAOYSA-N
XLogP1.70
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide?
The IUPAC name of 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide (CID 72548978) is 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide is CCCC1CCC(CNC(=O)n2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide?
The InChIKey is QWDJYGDOMJMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-11-4-6-12(7-5-11)10-16-14(20)18-9-8-13(19)17-15(18)21/h8-9,11-12H,2-7,10H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide?
2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 72548978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).