N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

C17H21ClN4O4 — CID 109323660

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C17H21ClN4O4/c1-10-7-13(22-17(20-10)19-5-6-24-2)16(23)21-12-9-14(25-3)11(18)8-15(12)26-4/h7-9H,5-6H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyIZQYJDAYYRPHHY-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.77
Rot. Bonds8

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323660) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323660
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C17H21ClN4O4/c1-10-7-13(22-17(20-10)19-5-6-24-2)16(23)21-12-9-14(25-3)11(18)8-15(12)26-4/h7-9H,5-6H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyIZQYJDAYYRPHHY-UHFFFAOYSA-N
XLogP2.77
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320598
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323658
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911493
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333139
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (CID 109323660) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)n1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IZQYJDAYYRPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-10-7-13(22-17(20-10)19-5-6-24-2)16(23)21-12-9-14(25-3)11(18)8-15(12)26-4/h7-9H,5-6H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).