N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide

C20H20N4O — CID 109334890

IUPACN,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-20-21-15(2)13-18(23-20)19(25)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,21,22,23)
InChIKeyBGCFGBQJLFAQJS-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.11
Rot. Bonds4

About N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide

N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109334890) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109334890
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-20-21-15(2)13-18(23-20)19(25)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,21,22,23)
InChIKeyBGCFGBQJLFAQJS-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-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335319
N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331248
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109334890) is N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1cccc(Nc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1.
What is the InChIKey of N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is BGCFGBQJLFAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-7-9-16(12-14)22-20-21-15(2)13-18(23-20)19(25)24(3)17-10-5-4-6-11-17/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-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 N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).