N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C19H25ClN4O2 — CID 112846579

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(NCCC(C)C)nc(C)n1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-18-10-16(22-13(4)23-18)19(25)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,24,25)(H,21,22,23)
InChIKeyFUETZHTUJBHUAX-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.47
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 112846579) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID112846579
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(NCCC(C)C)nc(C)n1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-18-10-16(22-13(4)23-18)19(25)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,24,25)(H,21,22,23)
InChIKeyFUETZHTUJBHUAX-UHFFFAOYSA-N
XLogP4.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-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

6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846689
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846561
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362870
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109361667
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366997
6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094558

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 112846579) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(NCCC(C)C)nc(C)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is FUETZHTUJBHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-18-10-16(22-13(4)23-18)19(25)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 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-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).