2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one

C13H12N2O — CID 79980623

IUPAC2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(C3CC3)c2)[nH]1
InChIInChI=1S/C13H12N2O/c16-12-6-7-14-13(15-12)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9H,4-5H2,(H,14,15,16)
InChIKeyMKDCZNGMRLHMTM-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.31
Rot. Bonds2

About 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one

2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one (PubChem CID 79980623) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
PubChem CID79980623
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cccc(C3CC3)c2)[nH]1
InChIInChI=1S/C13H12N2O/c16-12-6-7-14-13(15-12)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9H,4-5H2,(H,14,15,16)
InChIKeyMKDCZNGMRLHMTM-UHFFFAOYSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one (CID 79980623) is 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one is O=c1ccnc(-c2cccc(C3CC3)c2)[nH]1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one?
The InChIKey is MKDCZNGMRLHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-12-6-7-14-13(15-12)11-3-1-2-10(8-11)9-4-5-9/h1-3,6-9H,4-5H2,(H,14,15,16).
What are the key properties of 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one?
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79980623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).