4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C12H15N5 — CID 19137069

IUPAC4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C12H15N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H3,14,15,16,17)
InChIKeyCZBCOCLYYQOXTE-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.30
Rot. Bonds4

About 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19137069) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19137069
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C12H15N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H3,14,15,16,17)
InChIKeyCZBCOCLYYQOXTE-UHFFFAOYSA-N
XLogP1.30
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 19137069) is 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Nc1ncnc(NCCc2ccccc2)c1N.
What is the InChIKey of 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is CZBCOCLYYQOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H3,14,15,16,17).
What are the key properties of 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).