1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone

C23H20FN5O2 — CID 25004607

IUPAC1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3C(C)=O)nc12
InChIInChI=1S/C23H20FN5O2/c1-3-31-22-20-21(28-23(29-22)26-12-15-8-10-16(24)11-9-15)25-13-19(27-20)18-7-5-4-6-17(18)14(2)30/h4-11,13H,3,12H2,1-2H3,(H,25,26,28,29)
InChIKeySHDYHPAQDLOPLE-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.44
Rot. Bonds7

About 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone

1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone (PubChem CID 25004607) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone
PubChem CID25004607
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3C(C)=O)nc12
InChIInChI=1S/C23H20FN5O2/c1-3-31-22-20-21(28-23(29-22)26-12-15-8-10-16(24)11-9-15)25-13-19(27-20)18-7-5-4-6-17(18)14(2)30/h4-11,13H,3,12H2,1-2H3,(H,25,26,28,29)
InChIKeySHDYHPAQDLOPLE-UHFFFAOYSA-N
XLogP4.44
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-6-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]pteridin-2-amine
CID 25007510
6-(6-amino-3-pyridinyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69314270
6-(2-aminopyrimidin-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319740
[4-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]phenyl]urea
CID 24962201
6-(2,5-difluorophenyl)-4-ethoxypteridin-2-amine
CID 68774069
6-(3-aminophenyl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-2-amine
CID 69319400
5-ethoxy-N-ethyl-3-(4-fluorophenyl)pyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846851
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
4-ethoxy-6-(4-fluorophenyl)pteridine
CID 24794956
4-(2-amino-4-ethoxypteridin-6-yl)phenol;4-ethoxy-6-(2-ethoxyphenyl)pteridin-2-amine
CID 160631661
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone (CID 25004607) is 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone is CCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccccc3C(C)=O)nc12.
What is the InChIKey of 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone?
The InChIKey is SHDYHPAQDLOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-3-31-22-20-21(28-23(29-22)26-12-15-8-10-16(24)11-9-15)25-13-19(27-20)18-7-5-4-6-17(18)14(2)30/h4-11,13H,3,12H2,1-2H3,(H,25,26,28,29).
What are the key properties of 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone?
1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone has a molecular weight of 417.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]phenyl]ethanone is sourced from PubChem (CID 25004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).