2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C16H27N3O2 — CID 116776166

IUPAC2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(COC)cc(NC)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-4-21-16(9-7-5-6-8-10-16)15-18-13(12-20-3)11-14(17-2)19-15/h11H,4-10,12H2,1-3H3,(H,17,18,19)
InChIKeyFNJNIXDUKIUIEW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds6

About 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 116776166) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID116776166
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(COC)cc(NC)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-4-21-16(9-7-5-6-8-10-16)15-18-13(12-20-3)11-14(17-2)19-15/h11H,4-10,12H2,1-3H3,(H,17,18,19)
InChIKeyFNJNIXDUKIUIEW-UHFFFAOYSA-N
XLogP3.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 116776166) is 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCOC1(c2nc(COC)cc(NC)n2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FNJNIXDUKIUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-21-16(9-7-5-6-8-10-16)15-18-13(12-20-3)11-14(17-2)19-15/h11H,4-10,12H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116776166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).