2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one

C14H16N2O2 — CID 136964506

IUPAC2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-10(18-2)8-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyJQFNWVCGLOSVIL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one

2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136964506) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136964506
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-10(18-2)8-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
InChIKeyJQFNWVCGLOSVIL-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one (CID 136964506) is 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one is COC(C)Cc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JQFNWVCGLOSVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(18-2)8-13-15-12(9-14(17)16-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136964506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).