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

C20H16N4O — CID 135524115

IUPAC2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C20H16N4O/c1-13-22-19-17(20(25)23-13)12-18(24-19)15-9-10-21-16(11-15)8-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25)/b8-7+
InChIKeyLPNYKAPKBFXENX-BQYQJAHWSA-N
MW328.38 g/mol
LogP3.79
Rot. Bonds3

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

2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524115) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524115
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C20H16N4O/c1-13-22-19-17(20(25)23-13)12-18(24-19)15-9-10-21-16(11-15)8-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25)/b8-7+
InChIKeyLPNYKAPKBFXENX-BQYQJAHWSA-N
XLogP3.79
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524115) is 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is LPNYKAPKBFXENX-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-22-19-17(20(25)23-13)12-18(24-19)15-9-10-21-16(11-15)8-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25)/b8-7+.
What are the key properties of 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 328.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).