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

C15H24N2O3 — CID 116745165

IUPAC4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C15H24N2O3/c1-10(2)11-12(18)16-14(17-13(11)19)15(20-3)8-6-4-5-7-9-15/h10H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYZWOASCLCQUHBQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.79
Rot. Bonds3

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

4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116745165) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116745165
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C15H24N2O3/c1-10(2)11-12(18)16-14(17-13(11)19)15(20-3)8-6-4-5-7-9-15/h10H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYZWOASCLCQUHBQ-UHFFFAOYSA-N
XLogP2.79
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
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
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
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
2-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
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
2-(1-ethoxycycloheptyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745120

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 116745165) is 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C(C)C)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YZWOASCLCQUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)11-12(18)16-14(17-13(11)19)15(20-3)8-6-4-5-7-9-15/h10H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.79, 3 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).