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

C23H22N4O — CID 135524133

IUPAC2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C23H22N4O/c1-2-3-9-21-26-22-19(23(28)27-21)15-20(25-22)17-12-13-24-18(14-17)11-10-16-7-5-4-6-8-16/h4-8,10-15H,2-3,9H2,1H3,(H2,25,26,27,28)/b11-10+
InChIKeyIBFWFBBMKHKMIA-ZHACJKMWSA-N
MW370.46 g/mol
LogP4.83
Rot. Bonds6

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

2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524133) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524133
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCCCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C23H22N4O/c1-2-3-9-21-26-22-19(23(28)27-21)15-20(25-22)17-12-13-24-18(14-17)11-10-16-7-5-4-6-8-16/h4-8,10-15H,2-3,9H2,1H3,(H2,25,26,27,28)/b11-10+
InChIKeyIBFWFBBMKHKMIA-ZHACJKMWSA-N
XLogP4.83
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524133) is 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCCCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1.
What is the InChIKey of 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is IBFWFBBMKHKMIA-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-3-9-21-26-22-19(23(28)27-21)15-20(25-22)17-12-13-24-18(14-17)11-10-16-7-5-4-6-8-16/h4-8,10-15H,2-3,9H2,1H3,(H2,25,26,27,28)/b11-10+.
What are the key properties of 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 370.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).