2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 65399846

IUPAC2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8-11(15)13-10(14-12(8)16)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyDUEZAOLBSBMKPK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.22
Rot. Bonds1

About 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 65399846) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID65399846
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8-11(15)13-10(14-12(8)16)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyDUEZAOLBSBMKPK-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 65399846) is 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCCCCC2)[nH]c1=O.
What is the InChIKey of 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is DUEZAOLBSBMKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-11(15)13-10(14-12(8)16)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65399846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).