6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one

C17H17F2N5O2 — CID 3235466

IUPAC6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H17F2N5O2/c1-3-20-17-21-9-13-15(23-17)24(4-5-26-2)16(25)14(22-13)10-6-11(18)8-12(19)7-10/h6-9H,3-5H2,1-2H3,(H,20,21,23)
InChIKeyGLMLJUYCWPWIJO-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.21
Rot. Bonds6

About 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one

6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3235466) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3235466
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H17F2N5O2/c1-3-20-17-21-9-13-15(23-17)24(4-5-26-2)16(25)14(22-13)10-6-11(18)8-12(19)7-10/h6-9H,3-5H2,1-2H3,(H,20,21,23)
InChIKeyGLMLJUYCWPWIJO-UHFFFAOYSA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one (CID 3235466) is 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one is CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCOC)c2n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is GLMLJUYCWPWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-3-20-17-21-9-13-15(23-17)24(4-5-26-2)16(25)14(22-13)10-6-11(18)8-12(19)7-10/h6-9H,3-5H2,1-2H3,(H,20,21,23).
What are the key properties of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one?
6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 361.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3235466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).