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

C6H12N6 — CID 100934550

IUPAC5-(2-aminoethyl)pyrimidine-2,4,6-triamine
SMILESNCCc1c(N)nc(N)nc1N
InChIInChI=1S/C6H12N6/c7-2-1-3-4(8)11-6(10)12-5(3)9/h1-2,7H2,(H6,8,9,10,11,12)
InChIKeyNKQRTZJFHHYFBO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.28
Rot. Bonds2

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

5-(2-aminoethyl)pyrimidine-2,4,6-triamine (PubChem CID 100934550) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(2-aminoethyl)pyrimidine-2,4,6-triamine
PubChem CID100934550
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name5-(2-aminoethyl)pyrimidine-2,4,6-triamine
SMILESNCCc1c(N)nc(N)nc1N
InChIInChI=1S/C6H12N6/c7-2-1-3-4(8)11-6(10)12-5(3)9/h1-2,7H2,(H6,8,9,10,11,12)
InChIKeyNKQRTZJFHHYFBO-UHFFFAOYSA-N
XLogP-1.28
TPSA129.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(2-aminoethyl)pyrimidine-2,4,6-triamine (CID 100934550) is 5-(2-aminoethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(2-aminoethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(2-aminoethyl)pyrimidine-2,4,6-triamine is NCCc1c(N)nc(N)nc1N.
What is the InChIKey of 5-(2-aminoethyl)pyrimidine-2,4,6-triamine?
The InChIKey is NKQRTZJFHHYFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c7-2-1-3-4(8)11-6(10)12-5(3)9/h1-2,7H2,(H6,8,9,10,11,12).
What are the key properties of 5-(2-aminoethyl)pyrimidine-2,4,6-triamine?
5-(2-aminoethyl)pyrimidine-2,4,6-triamine has a molecular weight of 168.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 100934550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).