6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C20H20N4O — CID 109334971

IUPAC6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-19(25)18-13-15(2)21-20(23-18)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,22,25)
InChIKeyMGECTOCMRYOHKV-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.11
Rot. Bonds4

About 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109334971) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109334971
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-19(25)18-13-15(2)21-20(23-18)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,22,25)
InChIKeyMGECTOCMRYOHKV-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109335215
6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273
N-(3,5-dimethylphenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197652

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109334971) is 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c1.
What is the InChIKey of 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MGECTOCMRYOHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-19(25)18-13-15(2)21-20(23-18)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,22,25).
What are the key properties of 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).