N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H19N3O4 — CID 62527876

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4/c1-8-2-4-13(7-17,5-3-8)16-11(19)9-6-10(18)15-12(20)14-9/h6,8,17H,2-5,7H2,1H3,(H,16,19)(H2,14,15,18,20)
InChIKeyXUPPDJKOUOZLBM-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.27
Rot. Bonds3

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 62527876) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID62527876
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4/c1-8-2-4-13(7-17,5-3-8)16-11(19)9-6-10(18)15-12(20)14-9/h6,8,17H,2-5,7H2,1H3,(H,16,19)(H2,14,15,18,20)
InChIKeyXUPPDJKOUOZLBM-UHFFFAOYSA-N
XLogP-0.27
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 62527876) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC1CCC(CO)(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is XUPPDJKOUOZLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-2-4-13(7-17,5-3-8)16-11(19)9-6-10(18)15-12(20)14-9/h6,8,17H,2-5,7H2,1H3,(H,16,19)(H2,14,15,18,20).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 281.31 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 62527876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).