2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C13H11ClFN3 — CID 114740085

IUPAC2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(-c2ccc(F)cc2Cl)nc2c1CNC2
InChIInChI=1S/C13H11ClFN3/c1-7-10-5-16-6-12(10)18-13(17-7)9-3-2-8(15)4-11(9)14/h2-4,16H,5-6H2,1H3
InChIKeyUNQZPJXPLLNDFV-UHFFFAOYSA-N
MW263.70 g/mol
LogP2.85
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740085) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740085
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(-c2ccc(F)cc2Cl)nc2c1CNC2
InChIInChI=1S/C13H11ClFN3/c1-7-10-5-16-6-12(10)18-13(17-7)9-3-2-8(15)4-11(9)14/h2-4,16H,5-6H2,1H3
InChIKeyUNQZPJXPLLNDFV-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
5-(Aminomethyl)-6-(2-chlorophenyl)-2-phenylpyrimidin-4-amine
CID 10125645
(4-Chloro-benzyl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 2968165
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
CID 10149409
Sdccgsbi-0663041.P001
CID 44453652
N-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2039780
N-(2-chloro-6-fluorobenzyl)-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56703514
N-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-N',N'-diethyl-N-methyl-1,2-ethanediamine
CID 56892953
Mls003115822
CID 328141
N-(2-chloro-4-fluorobenzyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
CID 3242088
N-(2-chlorobenzyl)-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
CID 3243799
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 5078557

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740085) is 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc(-c2ccc(F)cc2Cl)nc2c1CNC2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is UNQZPJXPLLNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3/c1-7-10-5-16-6-12(10)18-13(17-7)9-3-2-8(15)4-11(9)14/h2-4,16H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 263.70 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).