6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol

C22H26FN7O — CID 137150136

IUPAC6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol
SMILESCC(C)N1CCCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3O)nc(N)n2)C1
InChIInChI=1S/C22H26FN7O/c1-12(2)30-9-3-4-13(11-30)16-10-17(29-22(25)28-16)20-18(31)6-5-15(27-20)14-7-8-26-21(24)19(14)23/h5-8,10,12-13,31H,3-4,9,11H2,1-2H3,(H2,24,26)(H2,25,28,29)
InChIKeyYVSZJKLHXVFEQB-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.20
Rot. Bonds4

About 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol

6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol (PubChem CID 137150136) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol
PubChem CID137150136
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol
SMILESCC(C)N1CCCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3O)nc(N)n2)C1
InChIInChI=1S/C22H26FN7O/c1-12(2)30-9-3-4-13(11-30)16-10-17(29-22(25)28-16)20-18(31)6-5-15(27-20)14-7-8-26-21(24)19(14)23/h5-8,10,12-13,31H,3-4,9,11H2,1-2H3,(H2,24,26)(H2,25,28,29)
InChIKeyYVSZJKLHXVFEQB-UHFFFAOYSA-N
XLogP3.20
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.20
H-Bond Donors ≤ 53
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-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol?
The IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol (CID 137150136) is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol.
What is the SMILES notation for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol?
The canonical SMILES for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol is CC(C)N1CCCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3O)nc(N)n2)C1.
What is the InChIKey of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol?
The InChIKey is YVSZJKLHXVFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-12(2)30-9-3-4-13(11-30)16-10-17(29-22(25)28-16)20-18(31)6-5-15(27-20)14-7-8-26-21(24)19(14)23/h5-8,10,12-13,31H,3-4,9,11H2,1-2H3,(H2,24,26)(H2,25,28,29).
What are the key properties of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol?
6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-amino-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol has a molecular weight of 423.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 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-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridin-3-ol is sourced from PubChem (CID 137150136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).