N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine

C16H28N4O — CID 115306618

IUPACN-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCOc1cc(NCCNC2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-3-21-16-12-15(19-13(2)20-16)18-11-10-17-14-8-6-4-5-7-9-14/h12,14,17H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyAOMHQTXYXCRUFI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.91
Rot. Bonds7

About N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine

N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 115306618) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID115306618
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCOc1cc(NCCNC2CCCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-3-21-16-12-15(19-13(2)20-16)18-11-10-17-14-8-6-4-5-7-9-14/h12,14,17H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyAOMHQTXYXCRUFI-UHFFFAOYSA-N
XLogP2.91
TPSA59.07 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 ≤ 52.91
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

N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
6-ethoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419086
[2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66326317
6-ethoxy-N-(2-ethylcyclohexyl)-2-methylpyrimidin-4-amine
CID 66327527
N-(2-chloro-2-cyclopropylethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66333544
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 115306618) is N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine is CCOc1cc(NCCNC2CCCCCC2)nc(C)n1.
What is the InChIKey of N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is AOMHQTXYXCRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-21-16-12-15(19-13(2)20-16)18-11-10-17-14-8-6-4-5-7-9-14/h12,14,17H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115306618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).