4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine

C12H15N5 — CID 80769538

IUPAC4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(N)nc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N5/c1-8(9-5-3-2-4-6-9)15-11-7-10(13)16-12(14)17-11/h2-8H,1H3,(H5,13,14,15,16,17)
InChIKeyZIQIYGVKUFLMAO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.81
Rot. Bonds3

About 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine

4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine (PubChem CID 80769538) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
PubChem CID80769538
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(N)nc(N)n1)c1ccccc1
InChIInChI=1S/C12H15N5/c1-8(9-5-3-2-4-6-9)15-11-7-10(13)16-12(14)17-11/h2-8H,1H3,(H5,13,14,15,16,17)
InChIKeyZIQIYGVKUFLMAO-UHFFFAOYSA-N
XLogP1.81
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine (CID 80769538) is 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine is CC(Nc1cc(N)nc(N)n1)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is ZIQIYGVKUFLMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(9-5-3-2-4-6-9)15-11-7-10(13)16-12(14)17-11/h2-8H,1H3,(H5,13,14,15,16,17).
What are the key properties of 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine?
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80769538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).