4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine

C10H14N8 — CID 71681474

IUPAC4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESNc1nccc(NCCNc2ccnc(N)n2)n1
InChIInChI=1S/C10H14N8/c11-9-15-3-1-7(17-9)13-5-6-14-8-2-4-16-10(12)18-8/h1-4H,5-6H2,(H3,11,13,15,17)(H3,12,14,16,18)
InChIKeyHRNKJHCWJOMKOK-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.05
Rot. Bonds5

About 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 71681474) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine
PubChem CID71681474
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESNc1nccc(NCCNc2ccnc(N)n2)n1
InChIInChI=1S/C10H14N8/c11-9-15-3-1-7(17-9)13-5-6-14-8-2-4-16-10(12)18-8/h1-4H,5-6H2,(H3,11,13,15,17)(H3,12,14,16,18)
InChIKeyHRNKJHCWJOMKOK-UHFFFAOYSA-N
XLogP-0.05
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine (CID 71681474) is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine is Nc1nccc(NCCNc2ccnc(N)n2)n1.
What is the InChIKey of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is HRNKJHCWJOMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c11-9-15-3-1-7(17-9)13-5-6-14-8-2-4-16-10(12)18-8/h1-4H,5-6H2,(H3,11,13,15,17)(H3,12,14,16,18).
What are the key properties of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine?
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 246.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 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]pyrimidine-2,4-diamine is sourced from PubChem (CID 71681474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).