N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H19N3O4 — CID 65123680

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H19N3O4/c1-8-3-2-4-13(20,5-8)7-15-10(17)9-6-14-12(19)16-11(9)18/h6,8,20H,2-5,7H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyYKKPXAHDWPGIPT-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.27
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 65123680) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID65123680
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H19N3O4/c1-8-3-2-4-13(20,5-8)7-15-10(17)9-6-14-12(19)16-11(9)18/h6,8,20H,2-5,7H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyYKKPXAHDWPGIPT-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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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 65123865
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 65123680) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC1CCCC(O)(CNC(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YKKPXAHDWPGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-3-2-4-13(20,5-8)7-15-10(17)9-6-14-12(19)16-11(9)18/h6,8,20H,2-5,7H2,1H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-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-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 65123680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).