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

C19H14N4O — CID 135441367

IUPAC6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc12
InChIInChI=1S/C19H14N4O/c24-19-16-11-17(23-18(16)21-12-22-19)14-8-9-20-15(10-14)7-6-13-4-2-1-3-5-13/h1-12H,(H2,21,22,23,24)/b7-6+
InChIKeyOKXVXSCOVXIJDR-VOTSOKGWSA-N
MW314.35 g/mol
LogP3.48
Rot. Bonds3

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

6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135441367) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135441367
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc12
InChIInChI=1S/C19H14N4O/c24-19-16-11-17(23-18(16)21-12-22-19)14-8-9-20-15(10-14)7-6-13-4-2-1-3-5-13/h1-12H,(H2,21,22,23,24)/b7-6+
InChIKeyOKXVXSCOVXIJDR-VOTSOKGWSA-N
XLogP3.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135441367) is 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc12.
What is the InChIKey of 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is OKXVXSCOVXIJDR-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19-16-11-17(23-18(16)21-12-22-19)14-8-9-20-15(10-14)7-6-13-4-2-1-3-5-13/h1-12H,(H2,21,22,23,24)/b7-6+.
What are the key properties of 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 314.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135441367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).