3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one

C16H15F3N4O — CID 174478192

IUPAC3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one
SMILESCn1c(N2CCC=C(C(F)(F)F)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C16H15F3N4O/c1-22-14(24)9-13(11-4-6-20-7-5-11)21-15(22)23-8-2-3-12(10-23)16(17,18)19/h3-7,9H,2,8,10H2,1H3
InChIKeyWNTHJSSPAUUVSA-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.54
Rot. Bonds2

About 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one

3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one (PubChem CID 174478192) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one
PubChem CID174478192
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one
SMILESCn1c(N2CCC=C(C(F)(F)F)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C16H15F3N4O/c1-22-14(24)9-13(11-4-6-20-7-5-11)21-15(22)23-8-2-3-12(10-23)16(17,18)19/h3-7,9H,2,8,10H2,1H3
InChIKeyWNTHJSSPAUUVSA-UHFFFAOYSA-N
XLogP2.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one (CID 174478192) is 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one is Cn1c(N2CCC=C(C(F)(F)F)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one?
The InChIKey is WNTHJSSPAUUVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-22-14(24)9-13(11-4-6-20-7-5-11)21-15(22)23-8-2-3-12(10-23)16(17,18)19/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one?
3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one has a molecular weight of 336.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-2-[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-one is sourced from PubChem (CID 174478192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).