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

C16H17Cl2N3O3 — CID 70754474

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-21(6-7-24-2)16(23)11-9-19-14(20-15(11)22)8-10-12(17)4-3-5-13(10)18/h3-5,9H,6-8H2,1-2H3,(H,19,20,22)
InChIKeyLKMCMCDEXCEGMG-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.39
Rot. Bonds6

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

2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70754474) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70754474
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-21(6-7-24-2)16(23)11-9-19-14(20-15(11)22)8-10-12(17)4-3-5-13(10)18/h3-5,9H,6-8H2,1-2H3,(H,19,20,22)
InChIKeyLKMCMCDEXCEGMG-UHFFFAOYSA-N
XLogP2.39
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.39
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-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70754474) is 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COCCN(C)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LKMCMCDEXCEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-21(6-7-24-2)16(23)11-9-19-14(20-15(11)22)8-10-12(17)4-3-5-13(10)18/h3-5,9H,6-8H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 2.39, 6 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-(2-methoxyethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70754474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).