2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine

C11H10FN5 — CID 71267211

IUPAC2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
SMILESNC1=NC(c2c[nH]c3ncc(F)cc23)=NCC1
InChIInChI=1S/C11H10FN5/c12-6-3-7-8(5-16-10(7)15-4-6)11-14-2-1-9(13)17-11/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyXCYZINZLDNATPH-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.21
Rot. Bonds1

About 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine (PubChem CID 71267211) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
PubChem CID71267211
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
SMILESNC1=NC(c2c[nH]c3ncc(F)cc23)=NCC1
InChIInChI=1S/C11H10FN5/c12-6-3-7-8(5-16-10(7)15-4-6)11-14-2-1-9(13)17-11/h3-5H,1-2H2,(H,15,16)(H2,13,14,17)
InChIKeyXCYZINZLDNATPH-UHFFFAOYSA-N
XLogP1.21
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 166941689
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
CID 142296682
3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 67988162
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 138496706
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 166941678
5-fluoro-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 135379872
3-[[8-carbamoyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228764
(2S)-3-[[4-fluoro-7-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-benzimidazol-5-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 170115784
(7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azonan-2-one
CID 138646408
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine?
The IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine (CID 71267211) is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine.
What is the SMILES notation for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine?
The canonical SMILES for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine is NC1=NC(c2c[nH]c3ncc(F)cc23)=NCC1.
What is the InChIKey of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine?
The InChIKey is XCYZINZLDNATPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c12-6-3-7-8(5-16-10(7)15-4-6)11-14-2-1-9(13)17-11/h3-5H,1-2H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine?
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine has a molecular weight of 231.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine is sourced from PubChem (CID 71267211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).