2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one

C15H16N2O3 — CID 136692542

IUPAC2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(-c2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H16N2O3/c1-19-10-5-6-13(20-2)11(7-10)12-8-14(18)17-15(16-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyDAWZWPAVRMDGBP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.33
Rot. Bonds4

About 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136692542) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136692542
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(-c2cc(=O)[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H16N2O3/c1-19-10-5-6-13(20-2)11(7-10)12-8-14(18)17-15(16-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyDAWZWPAVRMDGBP-UHFFFAOYSA-N
XLogP2.33
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one (CID 136692542) is 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(OC)c(-c2cc(=O)[nH]c(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is DAWZWPAVRMDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-10-5-6-13(20-2)11(7-10)12-8-14(18)17-15(16-12)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 272.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).