7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C15H15N3O — CID 135513648

IUPAC7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(Cc2ccccc2)c2nc[nH]c(=O)c12
InChIInChI=1S/C15H15N3O/c1-10-11(2)18(8-12-6-4-3-5-7-12)14-13(10)15(19)17-9-16-14/h3-7,9H,8H2,1-2H3,(H,16,17,19)
InChIKeyCZWRTMRQPGTVBF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.39
Rot. Bonds2

About 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135513648) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135513648
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(Cc2ccccc2)c2nc[nH]c(=O)c12
InChIInChI=1S/C15H15N3O/c1-10-11(2)18(8-12-6-4-3-5-7-12)14-13(10)15(19)17-9-16-14/h3-7,9H,8H2,1-2H3,(H,16,17,19)
InChIKeyCZWRTMRQPGTVBF-UHFFFAOYSA-N
XLogP2.39
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol
CID 136044063
9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluoren-4-ol
CID 136056551
7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135444983
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
1-methyl-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3659388
2-(dipropylamino)-5-mesityl-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54585865
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54586829

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135513648) is 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n(Cc2ccccc2)c2nc[nH]c(=O)c12.
What is the InChIKey of 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CZWRTMRQPGTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-11(2)18(8-12-6-4-3-5-7-12)14-13(10)15(19)17-9-16-14/h3-7,9H,8H2,1-2H3,(H,16,17,19).
What are the key properties of 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 253.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5,6-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135513648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).