2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C19H14FN5O — CID 135524101

IUPAC2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccnc(/C=C/c4ccc(F)cc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C19H14FN5O/c20-13-4-1-11(2-5-13)3-6-14-9-12(7-8-22-14)16-10-15-17(23-16)24-19(21)25-18(15)26/h1-10H,(H4,21,23,24,25,26)/b6-3+
InChIKeyJUHGXTKQXKNQRM-ZZXKWVIFSA-N
MW347.35 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524101) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524101
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccnc(/C=C/c4ccc(F)cc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C19H14FN5O/c20-13-4-1-11(2-5-13)3-6-14-9-12(7-8-22-14)16-10-15-17(23-16)24-19(21)25-18(15)26/h1-10H,(H4,21,23,24,25,26)/b6-3+
InChIKeyJUHGXTKQXKNQRM-ZZXKWVIFSA-N
XLogP3.20
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524101) is 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccnc(/C=C/c4ccc(F)cc4)c3)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JUHGXTKQXKNQRM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-13-4-1-11(2-5-13)3-6-14-9-12(7-8-22-14)16-10-15-17(23-16)24-19(21)25-18(15)26/h1-10H,(H4,21,23,24,25,26)/b6-3+.
What are the key properties of 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 347.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).