6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C19H25ClN4O2 — CID 112846689

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-19(25)16-10-18(23-13(4)22-16)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyQNXJQNDMOCFNOJ-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.27
Rot. Bonds7

About 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 112846689) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID112846689
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-19(25)16-10-18(23-13(4)22-16)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,21,25)(H,22,23,24)
InChIKeyQNXJQNDMOCFNOJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846579
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-pentylpyrimidine-4-carboxamide
CID 109333515
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876003

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 112846689) is 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1Nc1cc(C(=O)NCCC(C)C)nc(C)n1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is QNXJQNDMOCFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11(2)6-7-21-19(25)16-10-18(23-13(4)22-16)24-15-8-12(3)14(20)9-17(15)26-5/h8-11H,6-7H2,1-5H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).