6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine

C13H21N3O3 — CID 104762708

IUPAC6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDACIYVZDGUAXIU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.40
Rot. Bonds6

About 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine

6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 104762708) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
PubChem CID104762708
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDACIYVZDGUAXIU-UHFFFAOYSA-N
XLogP1.40
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine (CID 104762708) is 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine is CCOc1ncnc(NCC2(OC)CCOC2)c1C.
What is the InChIKey of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is DACIYVZDGUAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-12-10(2)11(15-9-16-12)14-7-13(17-3)5-6-18-8-13/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine?
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104762708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).