6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine

C15H18ClN5 — CID 174775794

IUPAC6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine
SMILESNCc1ccc(Cl)cc1-c1cc(NC2CCC2)nc(N)n1
InChIInChI=1S/C15H18ClN5/c16-10-5-4-9(8-17)12(6-10)13-7-14(21-15(18)20-13)19-11-2-1-3-11/h4-7,11H,1-3,8,17H2,(H3,18,19,20,21)
InChIKeyZMBYCVCUBXLVEX-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.80
Rot. Bonds4

About 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine

6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine (PubChem CID 174775794) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine
PubChem CID174775794
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine
SMILESNCc1ccc(Cl)cc1-c1cc(NC2CCC2)nc(N)n1
InChIInChI=1S/C15H18ClN5/c16-10-5-4-9(8-17)12(6-10)13-7-14(21-15(18)20-13)19-11-2-1-3-11/h4-7,11H,1-3,8,17H2,(H3,18,19,20,21)
InChIKeyZMBYCVCUBXLVEX-UHFFFAOYSA-N
XLogP2.80
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine (CID 174775794) is 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine is NCc1ccc(Cl)cc1-c1cc(NC2CCC2)nc(N)n1.
What is the InChIKey of 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine?
The InChIKey is ZMBYCVCUBXLVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-10-5-4-9(8-17)12(6-10)13-7-14(21-15(18)20-13)19-11-2-1-3-11/h4-7,11H,1-3,8,17H2,(H3,18,19,20,21).
What are the key properties of 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine?
6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine has a molecular weight of 303.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-5-chlorophenyl]-4-N-cyclobutylpyrimidine-2,4-diamine is sourced from PubChem (CID 174775794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).