2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine

C12H19N3O2 — CID 116776039

IUPAC2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nccc(NC)n2)CCOCC1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(5-8-16-9-6-12)11-14-7-4-10(13-2)15-11/h4,7H,3,5-6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyGAMUSNXASSBILR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine

2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine (PubChem CID 116776039) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
PubChem CID116776039
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nccc(NC)n2)CCOCC1
InChIInChI=1S/C12H19N3O2/c1-3-17-12(5-8-16-9-6-12)11-14-7-4-10(13-2)15-11/h4,7H,3,5-6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyGAMUSNXASSBILR-UHFFFAOYSA-N
XLogP1.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
[2-(1-ethoxy-4,4-dimethylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 116777628
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681720
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
CID 116782235
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284
5-(bromomethyl)-2-(4-ethoxyoxan-4-yl)-4-ethylpyrimidine
CID 114205724

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine (CID 116776039) is 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine is CCOC1(c2nccc(NC)n2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine?
The InChIKey is GAMUSNXASSBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12(5-8-16-9-6-12)11-14-7-4-10(13-2)15-11/h4,7H,3,5-6,8-9H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine?
2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116776039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).