6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine

C13H17N3O3 — CID 133485624

IUPAC6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine
SMILESCCOc1cc(NC(COC)c2ccco2)ncn1
InChIInChI=1S/C13H17N3O3/c1-3-18-13-7-12(14-9-15-13)16-10(8-17-2)11-5-4-6-19-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeySZOPLVSQQNSXGM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.27
Rot. Bonds7

About 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine

6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine (PubChem CID 133485624) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine
PubChem CID133485624
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine
SMILESCCOc1cc(NC(COC)c2ccco2)ncn1
InChIInChI=1S/C13H17N3O3/c1-3-18-13-7-12(14-9-15-13)16-10(8-17-2)11-5-4-6-19-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeySZOPLVSQQNSXGM-UHFFFAOYSA-N
XLogP2.27
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine (CID 133485624) is 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine is CCOc1cc(NC(COC)c2ccco2)ncn1.
What is the InChIKey of 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine?
The InChIKey is SZOPLVSQQNSXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-18-13-7-12(14-9-15-13)16-10(8-17-2)11-5-4-6-19-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine?
6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine is sourced from PubChem (CID 133485624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).