4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one

C19H21F2N3O — CID 137250031

IUPAC4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(C2(c3c(F)cccc3F)CC2)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C19H21F2N3O/c1-12-16(19(8-9-19)15-13(20)6-5-7-14(15)21)22-18(23-17(12)25)24-10-3-2-4-11-24/h5-7H,2-4,8-11H2,1H3,(H,22,23,25)
InChIKeyZEFRWVKNADZQCV-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.43
Rot. Bonds3

About 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one

4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 137250031) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID137250031
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(C2(c3c(F)cccc3F)CC2)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C19H21F2N3O/c1-12-16(19(8-9-19)15-13(20)6-5-7-14(15)21)22-18(23-17(12)25)24-10-3-2-4-11-24/h5-7H,2-4,8-11H2,1H3,(H,22,23,25)
InChIKeyZEFRWVKNADZQCV-UHFFFAOYSA-N
XLogP3.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135846108
8-fluoro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 136617678
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
(5R)-5-(2-chloro-6-fluorophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222470
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136741001
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455
6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
2-(4-ethylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135417578

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 137250031) is 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one is Cc1c(C2(c3c(F)cccc3F)CC2)nc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is ZEFRWVKNADZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-12-16(19(8-9-19)15-13(20)6-5-7-14(15)21)22-18(23-17(12)25)24-10-3-2-4-11-24/h5-7H,2-4,8-11H2,1H3,(H,22,23,25).
What are the key properties of 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 345.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137250031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).