N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109332314

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-6-23(7-2)18-20-12(4)9-15(22-18)17(24)21-14-8-11(3)13(19)10-16(14)25-5/h8-10H,6-7H2,1-5H3,(H,21,24)
InChIKeyKISZAZKTEQUUOT-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.85
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332314) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332314
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-6-23(7-2)18-20-12(4)9-15(22-18)17(24)21-14-8-11(3)13(19)10-16(14)25-5/h8-10H,6-7H2,1-5H3,(H,21,24)
InChIKeyKISZAZKTEQUUOT-UHFFFAOYSA-N
XLogP3.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-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)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320598
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373384
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109264082
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide (CID 109332314) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KISZAZKTEQUUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-6-23(7-2)18-20-12(4)9-15(22-18)17(24)21-14-8-11(3)13(19)10-16(14)25-5/h8-10H,6-7H2,1-5H3,(H,21,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).