6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol

C19H20FN7O — CID 137150111

IUPAC6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol
SMILESNc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCNCC2)n1
InChIInChI=1S/C19H20FN7O/c20-16-11(5-8-24-18(16)21)12-1-2-15(28)17(25-12)14-9-13(26-19(22)27-14)10-3-6-23-7-4-10/h1-2,5,8-10,23,28H,3-4,6-7H2,(H2,21,24)(H2,22,26,27)
InChIKeyICLXIERULPGRLV-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.08
Rot. Bonds3

About 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol

6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol (PubChem CID 137150111) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol
PubChem CID137150111
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol
SMILESNc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCNCC2)n1
InChIInChI=1S/C19H20FN7O/c20-16-11(5-8-24-18(16)21)12-1-2-15(28)17(25-12)14-9-13(26-19(22)27-14)10-3-6-23-7-4-10/h1-2,5,8-10,23,28H,3-4,6-7H2,(H2,21,24)(H2,22,26,27)
InChIKeyICLXIERULPGRLV-UHFFFAOYSA-N
XLogP2.08
TPSA135.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol?
The IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol (CID 137150111) is 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol.
What is the SMILES notation for 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol?
The canonical SMILES for 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol is Nc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCNCC2)n1.
What is the InChIKey of 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol?
The InChIKey is ICLXIERULPGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-16-11(5-8-24-18(16)21)12-1-2-15(28)17(25-12)14-9-13(26-19(22)27-14)10-3-6-23-7-4-10/h1-2,5,8-10,23,28H,3-4,6-7H2,(H2,21,24)(H2,22,26,27).
What are the key properties of 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol?
6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol has a molecular weight of 381.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-fluoro-4-pyridinyl)-2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)pyridin-3-ol is sourced from PubChem (CID 137150111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).