4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine

C17H19N7 — CID 71681639

IUPAC4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1
InChIInChI=1S/C17H19N7/c1-12-19-8-7-15(22-12)20-9-10-21-16-11-14(23-17(18)24-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,22)(H3,18,21,23,24)
InChIKeyIMEYTJCLPUYHSL-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.35
Rot. Bonds6

About 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine

4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 71681639) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID71681639
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1
InChIInChI=1S/C17H19N7/c1-12-19-8-7-15(22-12)20-9-10-21-16-11-14(23-17(18)24-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,22)(H3,18,21,23,24)
InChIKeyIMEYTJCLPUYHSL-UHFFFAOYSA-N
XLogP2.35
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-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 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine (CID 71681639) is 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine is Cc1nccc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1.
What is the InChIKey of 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is IMEYTJCLPUYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-12-19-8-7-15(22-12)20-9-10-21-16-11-14(23-17(18)24-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,22)(H3,18,21,23,24).
What are the key properties of 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine?
4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 321.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 71681639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).