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

C16H17Cl2N3O3 — CID 70707199

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

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

2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70707199) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70707199
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCO)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-2-21(6-7-22)16(24)11-9-19-14(20-15(11)23)8-10-12(17)4-3-5-13(10)18/h3-5,9,22H,2,6-8H2,1H3,(H,19,20,23)
InChIKeyOESMKQDKDHVONF-UHFFFAOYSA-N
XLogP2.12
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70707199) is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CCO)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OESMKQDKDHVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-2-21(6-7-22)16(24)11-9-19-14(20-15(11)23)8-10-12(17)4-3-5-13(10)18/h3-5,9,22H,2,6-8H2,1H3,(H,19,20,23).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70707199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).