4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

C16H18N2O2 — CID 136770300

IUPAC4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-10(2)16-17-14(9-15(19)18-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyIXVAFVHZRAXGJM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136770300) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136770300
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-10(2)16-17-14(9-15(19)18-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyIXVAFVHZRAXGJM-UHFFFAOYSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136770300) is 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is IXVAFVHZRAXGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(2)16-17-14(9-15(19)18-16)11-4-3-5-13(8-11)20-12-6-7-12/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 270.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).