6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione

C11H16N2O3 — CID 104963576

IUPAC6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione
SMILESCC1CCC(n2c(O)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O3/c1-7-2-4-8(5-3-7)13-10(15)6-9(14)12-11(13)16/h6-8,15H,2-5H2,1H3,(H,12,14,16)
InChIKeyQUUKAWLDQBLIJV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.99
Rot. Bonds1

About 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione

6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione (PubChem CID 104963576) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione
PubChem CID104963576
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione
SMILESCC1CCC(n2c(O)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H16N2O3/c1-7-2-4-8(5-3-7)13-10(15)6-9(14)12-11(13)16/h6-8,15H,2-5H2,1H3,(H,12,14,16)
InChIKeyQUUKAWLDQBLIJV-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808
6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione
CID 114123023
3-(4-methylcyclohexyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686602
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852450
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
6-hydroxy-1-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-dione
CID 106211142
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione (CID 104963576) is 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione is CC1CCC(n2c(O)cc(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione?
The InChIKey is QUUKAWLDQBLIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-2-4-8(5-3-7)13-10(15)6-9(14)12-11(13)16/h6-8,15H,2-5H2,1H3,(H,12,14,16).
What are the key properties of 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione?
6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 104963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).