2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H15FN4 — CID 71122461

IUPAC2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1Nc2nc(-c3cccc(F)c3)nc(N)c2C1C
InChIInChI=1S/C14H15FN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H3,16,17,18,19)
InChIKeyQISPGRIKUACEOZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.78
Rot. Bonds1

About 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 71122461) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID71122461
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1Nc2nc(-c3cccc(F)c3)nc(N)c2C1C
InChIInChI=1S/C14H15FN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H3,16,17,18,19)
InChIKeyQISPGRIKUACEOZ-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66301746
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
CID 64983813
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
4-cyclopropyl-6-(3-fluorophenyl)-1,3,5-triazin-2-amine
CID 63868480
2-(3-fluorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294124
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
CID 64983694
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
6-(3-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine
CID 64692601
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 71122461) is 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1Nc2nc(-c3cccc(F)c3)nc(N)c2C1C.
What is the InChIKey of 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QISPGRIKUACEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-7-8(2)17-14-11(7)12(16)18-13(19-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H3,16,17,18,19).
What are the key properties of 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 258.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,6-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71122461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).