6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine

C14H15F2N5O — CID 173494026

IUPAC6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine
SMILESCCOC1=NC(N)NC2=C1NC(c1cccc(F)c1F)=CN2
InChIInChI=1S/C14H15F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16/h3-6,14,18-20H,2,17H2,1H3
InChIKeyRZWBLNAOTJGHJB-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.91
Rot. Bonds2

About 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine

6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine (PubChem CID 173494026) has the molecular formula C14H15F2N5O and a molecular weight of 307.30 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine
PubChem CID173494026
Molecular FormulaC14H15F2N5O
Molecular Weight307.30 g/mol
Exact Mass307.12
IUPAC Name6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine
SMILESCCOC1=NC(N)NC2=C1NC(c1cccc(F)c1F)=CN2
InChIInChI=1S/C14H15F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16/h3-6,14,18-20H,2,17H2,1H3
InChIKeyRZWBLNAOTJGHJB-UHFFFAOYSA-N
XLogP0.91
TPSA83.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine?
The IUPAC name of 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine (CID 173494026) is 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine.
What is the SMILES notation for 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine?
The canonical SMILES for 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine is CCOC1=NC(N)NC2=C1NC(c1cccc(F)c1F)=CN2.
What is the InChIKey of 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine?
The InChIKey is RZWBLNAOTJGHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O/c1-2-22-13-11-12(20-14(17)21-13)18-6-9(19-11)7-4-3-5-8(15)10(7)16/h3-6,14,18-20H,2,17H2,1H3.
What are the key properties of 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine?
6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine has a molecular weight of 307.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine is sourced from PubChem (CID 173494026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).