2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine

C15H25N3O — CID 116776076

IUPAC2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(OCC)CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-11-16-13-8-12-17-14(18-13)15(19-4-2)9-6-5-7-10-15/h8,12H,3-7,9-11H2,1-2H3,(H,16,17,18)
InChIKeyZFZAZEWHTSRRHK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds6

About 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine

2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine (PubChem CID 116776076) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
PubChem CID116776076
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(OCC)CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-3-11-16-13-8-12-17-14(18-13)15(19-4-2)9-6-5-7-10-15/h8,12H,3-7,9-11H2,1-2H3,(H,16,17,18)
InChIKeyZFZAZEWHTSRRHK-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine
CID 63078296
2-(1-phenylcyclopentyl)-N-propylpyrimidin-4-amine
CID 63485261
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine (CID 116776076) is 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(C2(OCC)CCCCC2)n1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine?
The InChIKey is ZFZAZEWHTSRRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-16-13-8-12-17-14(18-13)15(19-4-2)9-6-5-7-10-15/h8,12H,3-7,9-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine?
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).