2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C19H22Cl2N4O2 — CID 70746416

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-24-8-6-12(7-9-24)25(2)19(27)14-11-22-17(23-18(14)26)10-13-15(20)4-3-5-16(13)21/h3-5,11-12H,6-10H2,1-2H3,(H,22,23,26)
InChIKeyWDOVXTFQIKUGQK-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70746416) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70746416
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1
InChIInChI=1S/C19H22Cl2N4O2/c1-24-8-6-12(7-9-24)25(2)19(27)14-11-22-17(23-18(14)26)10-13-15(20)4-3-5-16(13)21/h3-5,11-12H,6-10H2,1-2H3,(H,22,23,26)
InChIKeyWDOVXTFQIKUGQK-UHFFFAOYSA-N
XLogP2.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70746416) is 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is CN1CCC(N(C)C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WDOVXTFQIKUGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-24-8-6-12(7-9-24)25(2)19(27)14-11-22-17(23-18(14)26)10-13-15(20)4-3-5-16(13)21/h3-5,11-12H,6-10H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70746416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).