4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine

C14H13N3 — CID 144850967

IUPAC4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1cc(-c1ccccc1)n2C
InChIInChI=1S/C14H13N3/c1-10-12-8-13(11-6-4-3-5-7-11)17(2)14(12)16-9-15-10/h3-9H,1-2H3
InChIKeyAWWYGJFOURTIMN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.94
Rot. Bonds1

About 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine

4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 144850967) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID144850967
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2c1cc(-c1ccccc1)n2C
InChIInChI=1S/C14H13N3/c1-10-12-8-13(11-6-4-3-5-7-11)17(2)14(12)16-9-15-10/h3-9H,1-2H3
InChIKeyAWWYGJFOURTIMN-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-2-(7-methyl-6-phenylpyrrolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 122208510
2,4-dichloro-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidine
CID 164900032
7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080870
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 82375479
N-methyl-4-(7-methyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)aniline
CID 172623602
6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine
CID 168867616
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
benzene;4-methylquinazoline
CID 174274782
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-7-methyl-6-phenylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 67795133
benzene;1-methyl-2-phenylindole
CID 158316839

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine (CID 144850967) is 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine is Cc1ncnc2c1cc(-c1ccccc1)n2C.
What is the InChIKey of 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is AWWYGJFOURTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-12-8-13(11-6-4-3-5-7-11)17(2)14(12)16-9-15-10/h3-9H,1-2H3.
What are the key properties of 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine?
4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 144850967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).