2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C14H13F3N2O — CID 136691960

IUPAC2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H13F3N2O/c1-2-3-12-18-11(8-13(20)19-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19,20)
InChIKeyJMNRSMSKEULKGI-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.41
Rot. Bonds3

About 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136691960) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID136691960
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H13F3N2O/c1-2-3-12-18-11(8-13(20)19-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19,20)
InChIKeyJMNRSMSKEULKGI-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136770272
2-propyl-4-pyrimidin-5-yl-1H-pyrimidin-6-one
CID 136692372
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753960
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136691943
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 136691960) is 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is CCCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is JMNRSMSKEULKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-2-3-12-18-11(8-13(20)19-12)9-4-6-10(7-5-9)14(15,16)17/h4-8H,2-3H2,1H3,(H,18,19,20).
What are the key properties of 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 282.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136691960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).