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

C22H24N4O — CID 109334801

IUPACN-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2ccccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-5-26(18-11-8-9-15(2)13-18)21(27)20-14-17(4)23-22(25-20)24-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,23,24,25)
InChIKeyKSVWWDCIQCUOAJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.81
Rot. Bonds5

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

N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109334801) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109334801
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2ccccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-5-26(18-11-8-9-15(2)13-18)21(27)20-14-17(4)23-22(25-20)24-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,23,24,25)
InChIKeyKSVWWDCIQCUOAJ-UHFFFAOYSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336772
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327446
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
2-(cyclopentylamino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109322092
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109334801) is N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(Nc2ccccc2C)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KSVWWDCIQCUOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-26(18-11-8-9-15(2)13-18)21(27)20-14-17(4)23-22(25-20)24-19-12-7-6-10-16(19)3/h6-14H,5H2,1-4H3,(H,23,24,25).
What are the key properties of N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).