5-(4-aminobutyl)pyrimidine-2,4,6-triamine

C8H16N6 — CID 100934549

IUPAC5-(4-aminobutyl)pyrimidine-2,4,6-triamine
SMILESNCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C8H16N6/c9-4-2-1-3-5-6(10)13-8(12)14-7(5)11/h1-4,9H2,(H6,10,11,12,13,14)
InChIKeyFRQJCFSWDPTQKV-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.50
Rot. Bonds4

About 5-(4-aminobutyl)pyrimidine-2,4,6-triamine

5-(4-aminobutyl)pyrimidine-2,4,6-triamine (PubChem CID 100934549) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 5-(4-aminobutyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(4-aminobutyl)pyrimidine-2,4,6-triamine
PubChem CID100934549
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name5-(4-aminobutyl)pyrimidine-2,4,6-triamine
SMILESNCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C8H16N6/c9-4-2-1-3-5-6(10)13-8(12)14-7(5)11/h1-4,9H2,(H6,10,11,12,13,14)
InChIKeyFRQJCFSWDPTQKV-UHFFFAOYSA-N
XLogP-0.50
TPSA129.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 5-(4-aminobutyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(4-aminobutyl)pyrimidine-2,4,6-triamine (CID 100934549) is 5-(4-aminobutyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(4-aminobutyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(4-aminobutyl)pyrimidine-2,4,6-triamine is NCCCCc1c(N)nc(N)nc1N.
What is the InChIKey of 5-(4-aminobutyl)pyrimidine-2,4,6-triamine?
The InChIKey is FRQJCFSWDPTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c9-4-2-1-3-5-6(10)13-8(12)14-7(5)11/h1-4,9H2,(H6,10,11,12,13,14).
What are the key properties of 5-(4-aminobutyl)pyrimidine-2,4,6-triamine?
5-(4-aminobutyl)pyrimidine-2,4,6-triamine has a molecular weight of 196.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 100934549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).