5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

C14H13N3O — CID 135630721

IUPAC5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2cn(C)c3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C14H13N3O/c1-9-3-5-10(6-4-9)11-7-17(2)13-12(11)15-8-16-14(13)18/h3-8H,1-2H3,(H,15,16,18)
InChIKeyLEKQTUGFPHVMTN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds1

About 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135630721) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135630721
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2cn(C)c3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C14H13N3O/c1-9-3-5-10(6-4-9)11-7-17(2)13-12(11)15-8-16-14(13)18/h3-8H,1-2H3,(H,15,16,18)
InChIKeyLEKQTUGFPHVMTN-UHFFFAOYSA-N
XLogP2.24
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028
2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457964
2-amino-7-(3-chlorobenzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135457965
3-(3-Chloro-phenyl)-3-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-propionitrile
CID 135464106
2-Amino-7-(2-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474256
2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135496257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 135630721) is 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cc1ccc(-c2cn(C)c3c(=O)[nH]cnc23)cc1.
What is the InChIKey of 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is LEKQTUGFPHVMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-3-5-10(6-4-9)11-7-17(2)13-12(11)15-8-16-14(13)18/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-methylphenyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135630721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).