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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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).