N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide

C19H18N4O — CID 109346679

IUPACN-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H18N4O/c1-14-7-9-16(10-8-14)23-18-11-17(21-13-22-18)19(24)20-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYADGDNZAUPKABB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.46
Rot. Bonds5

About N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide

N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109346679) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109346679
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H18N4O/c1-14-7-9-16(10-8-14)23-18-11-17(21-13-22-18)19(24)20-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyYADGDNZAUPKABB-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
N-benzyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109346748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 109346679) is N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1.
What is the InChIKey of N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is YADGDNZAUPKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-7-9-16(10-8-14)23-18-11-17(21-13-22-18)19(24)20-12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).