4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine

C16H28N4O — CID 82458490

IUPAC4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCCCNc1nc(C2CCCCC2)nc(OCC)c1N
InChIInChI=1S/C16H28N4O/c1-3-5-11-18-15-13(17)16(21-4-2)20-14(19-15)12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyFMZYDFZYSQNVCP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.72
Rot. Bonds7

About 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine

4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine (PubChem CID 82458490) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
PubChem CID82458490
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCCCNc1nc(C2CCCCC2)nc(OCC)c1N
InChIInChI=1S/C16H28N4O/c1-3-5-11-18-15-13(17)16(21-4-2)20-14(19-15)12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyFMZYDFZYSQNVCP-UHFFFAOYSA-N
XLogP3.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.72
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

4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
CID 82456253
2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458482
2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82458475
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458480

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine (CID 82458490) is 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine is CCCCNc1nc(C2CCCCC2)nc(OCC)c1N.
What is the InChIKey of 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is FMZYDFZYSQNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-5-11-18-15-13(17)16(21-4-2)20-14(19-15)12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).