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

C18H19Cl2N3O2 — CID 70766055

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H19Cl2N3O2/c1-11-5-2-3-8-23(11)18(25)13-10-21-16(22-17(13)24)9-12-14(19)6-4-7-15(12)20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22,24)
InChIKeyYFIYLMHBXXKWGZ-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.68
Rot. Bonds3

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

2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70766055) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID70766055
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H19Cl2N3O2/c1-11-5-2-3-8-23(11)18(25)13-10-21-16(22-17(13)24)9-12-14(19)6-4-7-15(12)20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22,24)
InChIKeyYFIYLMHBXXKWGZ-UHFFFAOYSA-N
XLogP3.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 70766055) is 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is CC1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is YFIYLMHBXXKWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11-5-2-3-8-23(11)18(25)13-10-21-16(22-17(13)24)9-12-14(19)6-4-7-15(12)20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,21,22,24).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 380.28 g/mol, XLogP of 3.68, 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-(2-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).