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

C11H10FN5 — CID 71176262

IUPAC2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2c[nH]c3c2=C[C@H](F)CN=3)n1
InChIInChI=1S/C11H10FN5/c12-6-3-7-8(5-16-10(7)15-4-6)11-14-2-1-9(13)17-11/h1-3,5-6H,4H2,(H,15,16)(H2,13,14,17)/t6-/m0/s1
InChIKeyUDGUIYCFQBKGEZ-LURJTMIESA-N
MW231.23 g/mol
LogP-0.19
Rot. Bonds1

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

2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 71176262) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine
PubChem CID71176262
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2c[nH]c3c2=C[C@H](F)CN=3)n1
InChIInChI=1S/C11H10FN5/c12-6-3-7-8(5-16-10(7)15-4-6)11-14-2-1-9(13)17-11/h1-3,5-6H,4H2,(H,15,16)(H2,13,14,17)/t6-/m0/s1
InChIKeyUDGUIYCFQBKGEZ-LURJTMIESA-N
XLogP-0.19
TPSA79.95 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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine (CID 71176262) is 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine is Nc1ccnc(-c2c[nH]c3c2=C[C@H](F)CN=3)n1.
What is the InChIKey of 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is UDGUIYCFQBKGEZ-LURJTMIESA-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/h1-3,5-6H,4H2,(H,15,16)(H2,13,14,17)/t6-/m0/s1.
What are the key properties of 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine?
2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 231.23 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 71176262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).