4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide

C18H20N4O — CID 163357208

IUPAC4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(C3CCC3)nc(C3CC3)n2)cc1
InChIInChI=1S/C18H20N4O/c19-17(23)12-6-8-14(9-7-12)20-16-10-15(11-2-1-3-11)21-18(22-16)13-4-5-13/h6-11,13H,1-5H2,(H2,19,23)(H,20,21,22)
InChIKeyGWMLGKBJHXDSNP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds5

About 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide

4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide (PubChem CID 163357208) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide
PubChem CID163357208
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(C3CCC3)nc(C3CC3)n2)cc1
InChIInChI=1S/C18H20N4O/c19-17(23)12-6-8-14(9-7-12)20-16-10-15(11-2-1-3-11)21-18(22-16)13-4-5-13/h6-11,13H,1-5H2,(H2,19,23)(H,20,21,22)
InChIKeyGWMLGKBJHXDSNP-UHFFFAOYSA-N
XLogP3.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide 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

4-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]benzoic acid
CID 53214548
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 20997773
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
ethyl 4-[[4-[4-[4,6-bis(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 57313597
4-(cyclobutylmethylamino)benzamide
CID 65459398
2-cyclopropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80956599
4-(cyclopropylamino)benzamide
CID 103605968
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide (CID 163357208) is 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide is NC(=O)c1ccc(Nc2cc(C3CCC3)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide?
The InChIKey is GWMLGKBJHXDSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-17(23)12-6-8-14(9-7-12)20-16-10-15(11-2-1-3-11)21-18(22-16)13-4-5-13/h6-11,13H,1-5H2,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide?
4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide has a molecular weight of 308.38 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 4-[(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 163357208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).