N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C13H11FN4O — CID 90585516

IUPACN-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1F)N1Cc2cncnc2C1
InChIInChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)17-13(19)18-6-9-5-15-8-16-12(9)7-18/h1-5,8H,6-7H2,(H,17,19)
InChIKeyYAPWPYFOUQFBMG-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.16
Rot. Bonds1

About N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 90585516) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID90585516
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC NameN-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1F)N1Cc2cncnc2C1
InChIInChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)17-13(19)18-6-9-5-15-8-16-12(9)7-18/h1-5,8H,6-7H2,(H,17,19)
InChIKeyYAPWPYFOUQFBMG-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
CID 138005206
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89157968
(2S)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylbutan-1-one
CID 97354955
N-(4-methoxypyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71917832
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxypropan-1-one
CID 71805777
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 71805800

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 90585516) is N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1F)N1Cc2cncnc2C1.
What is the InChIKey of N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is YAPWPYFOUQFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-3-1-2-4-11(10)17-13(19)18-6-9-5-15-8-16-12(9)7-18/h1-5,8H,6-7H2,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 90585516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).