6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

C17H25N5 — CID 22539266

IUPAC6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(N(CC)c2cccc(C)c2)c1N
InChIInChI=1S/C17H25N5/c1-4-6-10-19-16-15(18)17(21-12-20-16)22(5-2)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10,18H2,1-3H3,(H,19,20,21)
InChIKeyWIAOZZRSKWIYBT-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.74
Rot. Bonds7

About 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine

6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22539266) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22539266
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(N(CC)c2cccc(C)c2)c1N
InChIInChI=1S/C17H25N5/c1-4-6-10-19-16-15(18)17(21-12-20-16)22(5-2)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10,18H2,1-3H3,(H,19,20,21)
InChIKeyWIAOZZRSKWIYBT-UHFFFAOYSA-N
XLogP3.74
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
6-N-(3-bromophenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539410
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19134824
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
CID 22539377
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine (CID 22539266) is 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is CCCCNc1ncnc(N(CC)c2cccc(C)c2)c1N.
What is the InChIKey of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is WIAOZZRSKWIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-6-10-19-16-15(18)17(21-12-20-16)22(5-2)14-9-7-8-13(3)11-14/h7-9,11-12H,4-6,10,18H2,1-3H3,(H,19,20,21).
What are the key properties of 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 299.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).