5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

C19H15N3O2 — CID 166138074

IUPAC5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cnc2c(c(-c3ccc(O)cc3)cn2-c2ccccc2)c1=O
InChIInChI=1S/C19H15N3O2/c1-21-12-20-18-17(19(21)24)16(13-7-9-15(23)10-8-13)11-22(18)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyPEPYNAXBFCHWAE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.10
Rot. Bonds2

About 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166138074) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166138074
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cnc2c(c(-c3ccc(O)cc3)cn2-c2ccccc2)c1=O
InChIInChI=1S/C19H15N3O2/c1-21-12-20-18-17(19(21)24)16(13-7-9-15(23)10-8-13)11-22(18)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyPEPYNAXBFCHWAE-UHFFFAOYSA-N
XLogP3.10
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 166138087
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 166138070
2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
CID 144586791
12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2755490
5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 158755059
7-(4-iodophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135419385
7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 139219379
5-[4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 155247476
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138556020
5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671088
3-(hydroxymethyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 167359918

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (CID 166138074) is 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is Cn1cnc2c(c(-c3ccc(O)cc3)cn2-c2ccccc2)c1=O.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PEPYNAXBFCHWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-21-12-20-18-17(19(21)24)16(13-7-9-15(23)10-8-13)11-22(18)14-5-3-2-4-6-14/h2-12,23H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 317.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166138074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).