N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109347942

IUPACN-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)18-9-11-19(12-10-18)25-21-13-20(23-15-24-21)22(27)26(3)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,24,25)
InChIKeyJWGJXEXBFYANLZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.62
Rot. Bonds6

About N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109347942) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109347942
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)18-9-11-19(12-10-18)25-21-13-20(23-15-24-21)22(27)26(3)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,24,25)
InChIKeyJWGJXEXBFYANLZ-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347996
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
6-N-benzyl-6-N-methyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097697
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109347893

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109347942) is N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(C)c1ccc(Nc2cc(C(=O)N(C)Cc3ccccc3)ncn2)cc1.
What is the InChIKey of N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is JWGJXEXBFYANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(2)18-9-11-19(12-10-18)25-21-13-20(23-15-24-21)22(27)26(3)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).