4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one

C16H18N2O2 — CID 136770272

IUPAC4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(OC3CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-3-15-17-14(10-16(19)18-15)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyQYOMWUFGRRJIJX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.93
Rot. Bonds5

About 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one

4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one (PubChem CID 136770272) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
PubChem CID136770272
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(OC3CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c1-2-3-15-17-14(10-16(19)18-15)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyQYOMWUFGRRJIJX-UHFFFAOYSA-N
XLogP2.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one (CID 136770272) is 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccc(OC3CC3)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one?
The InChIKey is QYOMWUFGRRJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-15-17-14(10-16(19)18-15)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one?
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one has a molecular weight of 270.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).