1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine

C15H26N4O — CID 115309407

IUPAC1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCOc1ncnc(NC(CN)C2CCCCC2)c1C
InChIInChI=1S/C15H26N4O/c1-3-20-15-11(2)14(17-10-18-15)19-13(9-16)12-7-5-4-6-8-12/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyAHHQHVMOKCGPPM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine

1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 115309407) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID115309407
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCOc1ncnc(NC(CN)C2CCCCC2)c1C
InChIInChI=1S/C15H26N4O/c1-3-20-15-11(2)14(17-10-18-15)19-13(9-16)12-7-5-4-6-8-12/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyAHHQHVMOKCGPPM-UHFFFAOYSA-N
XLogP2.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 106738090
1-cyclohexyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 113283795
1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 115309628
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine
CID 66324925
N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66324741
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine
CID 66325436
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327004
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 115309407) is 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine is CCOc1ncnc(NC(CN)C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is AHHQHVMOKCGPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-20-15-11(2)14(17-10-18-15)19-13(9-16)12-7-5-4-6-8-12/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).