4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine

C12H15N5 — CID 22539751

IUPAC4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(N)c1N
InChIInChI=1S/C12H15N5/c1-2-17(9-6-4-3-5-7-9)12-10(13)11(14)15-8-16-12/h3-8H,2,13H2,1H3,(H2,14,15,16)
InChIKeyOORLFSBYTRVTBJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.80
Rot. Bonds3

About 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine

4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 22539751) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID22539751
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(N)c1N
InChIInChI=1S/C12H15N5/c1-2-17(9-6-4-3-5-7-9)12-10(13)11(14)15-8-16-12/h3-8H,2,13H2,1H3,(H2,14,15,16)
InChIKeyOORLFSBYTRVTBJ-UHFFFAOYSA-N
XLogP1.80
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-ethyl-4-N-phenylpyrimidine-4,5-diamine
CID 22539819
6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539816
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
4-N,6-N-diethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 23478131
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 22539855
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 22539751) is 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine is CCN(c1ccccc1)c1ncnc(N)c1N.
What is the InChIKey of 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is OORLFSBYTRVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-17(9-6-4-3-5-7-9)12-10(13)11(14)15-8-16-12/h3-8H,2,13H2,1H3,(H2,14,15,16).
What are the key properties of 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).