6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

C20H27N9 — CID 71681479

IUPAC6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1
InChIInChI=1S/C20H27N9/c1-13(2)12-25-18-11-17(28-20(22)29-18)24-9-8-23-16-10-15(26-19(21)27-16)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,21,23,26,27)(H4,22,24,25,28,29)
InChIKeyCLXOYYRURNEZQS-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.69
Rot. Bonds9

About 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 71681479) has the molecular formula C20H27N9 and a molecular weight of 393.50 g/mol. Its IUPAC name is 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID71681479
Molecular FormulaC20H27N9
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC Name6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1
InChIInChI=1S/C20H27N9/c1-13(2)12-25-18-11-17(28-20(22)29-18)24-9-8-23-16-10-15(26-19(21)27-16)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,21,23,26,27)(H4,22,24,25,28,29)
InChIKeyCLXOYYRURNEZQS-UHFFFAOYSA-N
XLogP2.69
TPSA139.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine 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-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 58316685
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 71681479) is 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1.
What is the InChIKey of 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is CLXOYYRURNEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9/c1-13(2)12-25-18-11-17(28-20(22)29-18)24-9-8-23-16-10-15(26-19(21)27-16)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,21,23,26,27)(H4,22,24,25,28,29).
What are the key properties of 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 393.50 g/mol, XLogP of 2.69, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).