N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C20H19ClN4O2 — CID 112850211

IUPACN-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-16(21)8-5-9-17(12)25-20(26)18-11-19(23-13(2)22-18)24-14-6-4-7-15(10-14)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCFENFYUVWZMWOI-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850211) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850211
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-16(21)8-5-9-17(12)25-20(26)18-11-19(23-13(2)22-18)24-14-6-4-7-15(10-14)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCFENFYUVWZMWOI-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850219
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112848883
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
6-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850220
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112850211) is N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)nc(C)n2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is CFENFYUVWZMWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-16(21)8-5-9-17(12)25-20(26)18-11-19(23-13(2)22-18)24-14-6-4-7-15(10-14)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).