4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one

C15H24N2O3 — CID 116745146

IUPAC4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-8-11-12(18)16-14(17-13(11)19)15(20-2)9-6-4-5-7-10-15/h3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyAKGUYLOKIWUFMO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds4

About 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 116745146) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID116745146
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-8-11-12(18)16-14(17-13(11)19)15(20-2)9-6-4-5-7-10-15/h3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyAKGUYLOKIWUFMO-UHFFFAOYSA-N
XLogP2.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
5-cyclopentyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609940
5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 112569373
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 113432633
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
4-hydroxy-2-(3-methoxypentan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 113559543
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 116745112

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one (CID 116745146) is 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is AKGUYLOKIWUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-8-11-12(18)16-14(17-13(11)19)15(20-2)9-6-4-5-7-10-15/h3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).