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

C19H15N5O — CID 135524106

IUPAC2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O/c20-19-23-17-15(18(25)24-19)11-16(22-17)13-8-9-21-14(10-13)7-6-12-4-2-1-3-5-12/h1-11H,(H4,20,22,23,24,25)/b7-6+
InChIKeyWWABKUDURCHTAK-VOTSOKGWSA-N
MW329.36 g/mol
LogP3.07
Rot. Bonds3

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

2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524106) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524106
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O/c20-19-23-17-15(18(25)24-19)11-16(22-17)13-8-9-21-14(10-13)7-6-12-4-2-1-3-5-12/h1-11H,(H4,20,22,23,24,25)/b7-6+
InChIKeyWWABKUDURCHTAK-VOTSOKGWSA-N
XLogP3.07
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 135413525
BPKDi
CID 46901383
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
Dipyridodiazepinone deriv. 42
CID 463562
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11266364
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524106) is 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WWABKUDURCHTAK-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H15N5O/c20-19-23-17-15(18(25)24-19)11-16(22-17)13-8-9-21-14(10-13)7-6-12-4-2-1-3-5-12/h1-11H,(H4,20,22,23,24,25)/b7-6+.
What are the key properties of 2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.07, 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-phenylethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).