7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine

C15H14ClN3 — CID 1475476

IUPAC7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12
InChIInChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3
InChIKeyOWTBZRBZLBQVFN-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.75
Rot. Bonds2

About 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine

7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 1475476) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID1475476
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12
InChIInChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3
InChIKeyOWTBZRBZLBQVFN-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Arprinocid
CID 41574
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767
4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 2049536
6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 9895628
6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444205
6-Chloro-2-phenylimidazo[1,2-a]pyridine
CID 696181
2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860
9-[(2,6-dichlorophenyl)methyl]-N,N-diethylpurin-6-amine
CID 594510

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine (CID 1475476) is 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine is Cc1c(C)n(Cc2ccccc2)c2ncnc(Cl)c12.
What is the InChIKey of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OWTBZRBZLBQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine?
7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-chloro-5,6-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 1475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).