5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine

C14H14FN3 — CID 141415561

IUPAC5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
SMILESCN1C=C2C(=CN=C2c2cccc(F)c2)N(C)C1
InChIInChI=1S/C14H14FN3/c1-17-8-12-13(18(2)9-17)7-16-14(12)10-4-3-5-11(15)6-10/h3-8H,9H2,1-2H3
InChIKeyMKKZEZFDOAPTDT-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.19
Rot. Bonds1

About 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine

5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine (PubChem CID 141415561) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
PubChem CID141415561
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
SMILESCN1C=C2C(=CN=C2c2cccc(F)c2)N(C)C1
InChIInChI=1S/C14H14FN3/c1-17-8-12-13(18(2)9-17)7-16-14(12)10-4-3-5-11(15)6-10/h3-8H,9H2,1-2H3
InChIKeyMKKZEZFDOAPTDT-UHFFFAOYSA-N
XLogP2.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-fluorophenyl)-1,3-dimethyl-2H-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

2-Phenyl-6-(trifluoromethyl)-3,5,8,8a-tetrahydroimidazo[1,2-a]pyridine
CID 91446839
8-Chloro-6-(2-fluorophenyl)-1-methyl-3,5-dihydroimidazo[1,5-a][1,4]diazepine
CID 22329344
7-Fluoro-3-methyl-5-phenylpyrazolo[3,4-i][1,4]benzodiazepine
CID 69800470
7-Fluoro-5-(2-fluorophenyl)-3-methylpyrazolo[3,4-i][1,4]benzodiazepine
CID 69800545
(8aS)-2-(4-fluorophenyl)-N,N-dimethyl-8,8a-dihydroquinolin-7-amine
CID 89789321
1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
CID 123769990
1-[(2E)-5-ethyl-2-ethylidene-3-(3-fluorophenyl)-1-pyridinyl]-N,N-dimethylmethanamine
CID 130374234
(2E)-6-(4-fluorophenyl)-1-methyl-2-(4-methylpent-3-en-2-ylidene)-4-propylpyrimidine
CID 132003421
7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
CID 141376857
7-fluoro-7-methyl-2-phenyl-3H-imidazo[1,2-a]pyridine
CID 150646082
8-Chloro-1-ethyl-6-(2-fluorophenyl)-2,4-dihydroimidazo[4,5-g][2,3]benzodiazepine
CID 150844643
3-(2,4-difluorophenyl)-1,5-dimethyl-2H-pyrazine
CID 153643979

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine (CID 141415561) is 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine is CN1C=C2C(=CN=C2c2cccc(F)c2)N(C)C1.
What is the InChIKey of 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is MKKZEZFDOAPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-17-8-12-13(18(2)9-17)7-16-14(12)10-4-3-5-11(15)6-10/h3-8H,9H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine?
5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 243.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 141415561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).