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

C14H23N9 — CID 71681475

IUPAC6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C14H23N9/c1-9(2)8-20-12-7-11(22-14(16)23-12)18-6-5-17-10-3-4-19-13(15)21-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,17,19,21)(H4,16,18,20,22,23)
InChIKeyZEGJRYLUQCJDGS-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.02
Rot. Bonds8

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

6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 71681475) has the molecular formula C14H23N9 and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID71681475
Molecular FormulaC14H23N9
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Name6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C14H23N9/c1-9(2)8-20-12-7-11(22-14(16)23-12)18-6-5-17-10-3-4-19-13(15)21-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,17,19,21)(H4,16,18,20,22,23)
InChIKeyZEGJRYLUQCJDGS-UHFFFAOYSA-N
XLogP1.02
TPSA139.69 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 71681475) is 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1.
What is the InChIKey of 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is ZEGJRYLUQCJDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N9/c1-9(2)8-20-12-7-11(22-14(16)23-12)18-6-5-17-10-3-4-19-13(15)21-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,17,19,21)(H4,16,18,20,22,23).
What are the key properties of 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 317.40 g/mol, XLogP of 1.02, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).