4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O2 — CID 103241374

IUPAC4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-10(2)14-15-12(17)9-13(16-14)18-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHKPSDWMKURYLHM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.99
Rot. Bonds3

About 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one

4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241374) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241374
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-10(2)14-15-12(17)9-13(16-14)18-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHKPSDWMKURYLHM-UHFFFAOYSA-N
XLogP2.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241374) is 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HKPSDWMKURYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)14-15-12(17)9-13(16-14)18-11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).