6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H23ClN4O2 — CID 112846634

IUPAC6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-11(2)7-8-20-18(24)15-10-17(22-12(3)21-15)23-13-5-6-16(25-4)14(19)9-13/h5-6,9-11H,7-8H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyYLIWTGUWVGEMCT-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.97
Rot. Bonds7

About 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 112846634) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID112846634
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-11(2)7-8-20-18(24)15-10-17(22-12(3)21-15)23-13-5-6-16(25-4)14(19)9-13/h5-6,9-11H,7-8H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyYLIWTGUWVGEMCT-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846689
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 112846634) is 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is YLIWTGUWVGEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11(2)7-8-20-18(24)15-10-17(22-12(3)21-15)23-13-5-6-16(25-4)14(19)9-13/h5-6,9-11H,7-8H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).