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

C16H18N2O3 — CID 136770296

IUPAC4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-2-20-10-15-17-14(9-16(19)18-15)11-4-3-5-13(8-11)21-12-6-7-12/h3-5,8-9,12H,2,6-7,10H2,1H3,(H,17,18,19)
InChIKeyYLUZMAMMMQAEBM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds6

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

4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136770296) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136770296
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c1-2-20-10-15-17-14(9-16(19)18-15)11-4-3-5-13(8-11)21-12-6-7-12/h3-5,8-9,12H,2,6-7,10H2,1H3,(H,17,18,19)
InChIKeyYLUZMAMMMQAEBM-UHFFFAOYSA-N
XLogP2.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one (CID 136770296) is 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one is CCOCc1nc(-c2cccc(OC3CC3)c2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YLUZMAMMMQAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-10-15-17-14(9-16(19)18-15)11-4-3-5-13(8-11)21-12-6-7-12/h3-5,8-9,12H,2,6-7,10H2,1H3,(H,17,18,19).
What are the key properties of 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one?
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 286.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).