4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

C22H22N4O2 — CID 5289109

IUPAC4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1
InChIInChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGTBUZLPQANSGGE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.95
Rot. Bonds6

About 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 5289109) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
PubChem CID5289109
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1
InChIInChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGTBUZLPQANSGGE-UHFFFAOYSA-N
XLogP2.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
CID 118410954
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(3-methylphenyl)methyl]-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347229
N-[(3-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347230
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (CID 5289109) is 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is Cc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1.
What is the InChIKey of 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is GTBUZLPQANSGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 5289109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).