2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

C17H17Cl2N3O2 — CID 70734474

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-5-4-6-14(19)11(13)9-15-20-10-12(16(23)21-15)17(24)22-7-2-1-3-8-22/h4-6,10H,1-3,7-9H2,(H,20,21,23)
InChIKeyFYVJQFUGRRNDMR-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70734474) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID70734474
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-5-4-6-14(19)11(13)9-15-20-10-12(16(23)21-15)17(24)22-7-2-1-3-8-22/h4-6,10H,1-3,7-9H2,(H,20,21,23)
InChIKeyFYVJQFUGRRNDMR-UHFFFAOYSA-N
XLogP3.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrimidin-6-one
CID 70714841
2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 70740218
2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70728089
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
2-[(2,6-dichlorophenyl)methyl]-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70743432
2-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
CID 97151067
2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70754474
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
1-[6-oxo-2-(phenylsulfanylmethyl)-1H-pyrimidine-5-carbonyl]piperidine-3-carbonitrile
CID 72912094

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 70734474) is 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is FYVJQFUGRRNDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-13-5-4-6-14(19)11(13)9-15-20-10-12(16(23)21-15)17(24)22-7-2-1-3-8-22/h4-6,10H,1-3,7-9H2,(H,20,21,23).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 366.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70734474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).