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

C14H14FN3 — CID 114740173

IUPAC2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cc(F)cc(-c2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C14H14FN3/c1-8-3-10(5-11(15)4-8)14-17-9(2)12-6-16-7-13(12)18-14/h3-5,16H,6-7H2,1-2H3
InChIKeyGOOAJENTORTJFE-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.50
Rot. Bonds1

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

2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740173) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740173
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cc(F)cc(-c2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C14H14FN3/c1-8-3-10(5-11(15)4-8)14-17-9(2)12-6-16-7-13(12)18-14/h3-5,16H,6-7H2,1-2H3
InChIKeyGOOAJENTORTJFE-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103400082
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
2-(3-bromo-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740177
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739121
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
2-(5-bromo-3-pyridinyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740096
2-(3-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741283
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740025
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740173) is 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1cc(F)cc(-c2nc(C)c3c(n2)CNC3)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is GOOAJENTORTJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-8-3-10(5-11(15)4-8)14-17-9(2)12-6-16-7-13(12)18-14/h3-5,16H,6-7H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 243.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).