1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine

C15H25N3O — CID 116778481

IUPAC1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCCOC1(c2nccc(CNC)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-19-15(9-6-4-5-7-10-15)14-17-11-8-13(18-14)12-16-2/h8,11,16H,3-7,9-10,12H2,1-2H3
InChIKeyUVWGIQKZBAXKAS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 116778481) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID116778481
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESCCOC1(c2nccc(CNC)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-19-15(9-6-4-5-7-10-15)14-17-11-8-13(18-14)12-16-2/h8,11,16H,3-7,9-10,12H2,1-2H3
InChIKeyUVWGIQKZBAXKAS-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
CID 116776039
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137017909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine (CID 116778481) is 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine is CCOC1(c2nccc(CNC)n2)CCCCCC1.
What is the InChIKey of 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is UVWGIQKZBAXKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-15(9-6-4-5-7-10-15)14-17-11-8-13(18-14)12-16-2/h8,11,16H,3-7,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116778481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).