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

C17H20N8 — CID 71681804

IUPAC4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C17H20N8/c1-25(10-9-20-14-7-8-21-16(18)23-14)15-11-13(22-17(19)24-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,22,24)(H3,18,20,21,23)
InChIKeyUINJBEYEENLZBW-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.65
Rot. Bonds6

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

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 71681804) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID71681804
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C17H20N8/c1-25(10-9-20-14-7-8-21-16(18)23-14)15-11-13(22-17(19)24-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,22,24)(H3,18,20,21,23)
InChIKeyUINJBEYEENLZBW-UHFFFAOYSA-N
XLogP1.65
TPSA118.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-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-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 71681804) is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine is CN(CCNc1ccnc(N)n1)c1cc(-c2ccccc2)nc(N)n1.
What is the InChIKey of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is UINJBEYEENLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-25(10-9-20-14-7-8-21-16(18)23-14)15-11-13(22-17(19)24-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,22,24)(H3,18,20,21,23).
What are the key properties of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine?
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 71681804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).