6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine

C19H16FN5O — CID 126680957

IUPAC6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
SMILESC[C@H](CNc1cc(-c2ccc(F)nc2)ncn1)c1ccnc2ccoc12
InChIInChI=1S/C19H16FN5O/c1-12(14-4-6-21-15-5-7-26-19(14)15)9-23-18-8-16(24-11-25-18)13-2-3-17(20)22-10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25)/t12-/m1/s1
InChIKeyPJJKHWBONJDBON-GFCCVEGCSA-N
MW349.37 g/mol
LogP4.03
Rot. Bonds5

About 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine

6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine (PubChem CID 126680957) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
PubChem CID126680957
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine
SMILESC[C@H](CNc1cc(-c2ccc(F)nc2)ncn1)c1ccnc2ccoc12
InChIInChI=1S/C19H16FN5O/c1-12(14-4-6-21-15-5-7-26-19(14)15)9-23-18-8-16(24-11-25-18)13-2-3-17(20)22-10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25)/t12-/m1/s1
InChIKeyPJJKHWBONJDBON-GFCCVEGCSA-N
XLogP4.03
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The IUPAC name of 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine (CID 126680957) is 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine is C[C@H](CNc1cc(-c2ccc(F)nc2)ncn1)c1ccnc2ccoc12.
What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
The InChIKey is PJJKHWBONJDBON-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12(14-4-6-21-15-5-7-26-19(14)15)9-23-18-8-16(24-11-25-18)13-2-3-17(20)22-10-13/h2-8,10-12H,9H2,1H3,(H,23,24,25)/t12-/m1/s1.
What are the key properties of 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine?
6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine has a molecular weight of 349.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-pyridinyl)-N-[(2S)-2-furo[3,2-b]pyridin-7-ylpropyl]pyrimidin-4-amine is sourced from PubChem (CID 126680957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).