3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one

C14H16N2O2 — CID 123679164

IUPAC3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccccc2)N(CC2CC2)CC1O
InChIInChI=1S/C14H16N2O2/c17-12-9-16(8-10-6-7-10)13(15-14(12)18)11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2
InChIKeyHPYJQZVRMRLZOP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.05
Rot. Bonds3

About 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one

3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one (PubChem CID 123679164) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one
PubChem CID123679164
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one
SMILESO=C1N=C(c2ccccc2)N(CC2CC2)CC1O
InChIInChI=1S/C14H16N2O2/c17-12-9-16(8-10-6-7-10)13(15-14(12)18)11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2
InChIKeyHPYJQZVRMRLZOP-UHFFFAOYSA-N
XLogP1.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one (CID 123679164) is 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one is O=C1N=C(c2ccccc2)N(CC2CC2)CC1O.
What is the InChIKey of 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one?
The InChIKey is HPYJQZVRMRLZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-9-16(8-10-6-7-10)13(15-14(12)18)11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2.
What are the key properties of 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one?
3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-hydroxy-2-phenyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123679164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).