2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one

C13H14N2O — CID 10262682

IUPAC2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N2O/c1-9(2)11-8-14-12(15-13(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyJHCJUTYVHNQHDK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.56
Rot. Bonds2

About 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one

2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 10262682) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID10262682
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H14N2O/c1-9(2)11-8-14-12(15-13(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)
InChIKeyJHCJUTYVHNQHDK-UHFFFAOYSA-N
XLogP2.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 10262682) is 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JHCJUTYVHNQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(2)11-8-14-12(15-13(11)16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16).
What are the key properties of 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 214.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 10262682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).