(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol

C19H26N6O2 — CID 95144188

IUPAC(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESNc1nc(N2CCOCC2)cc(N2CCC([C@H](O)c3ccccn3)CC2)n1
InChIInChI=1S/C19H26N6O2/c20-19-22-16(13-17(23-19)25-9-11-27-12-10-25)24-7-4-14(5-8-24)18(26)15-3-1-2-6-21-15/h1-3,6,13-14,18,26H,4-5,7-12H2,(H2,20,22,23)/t18-/m0/s1
InChIKeyPTZUAXADXBONEB-SFHVURJKSA-N
MW370.46 g/mol
LogP1.24
Rot. Bonds4

About (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol

(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 95144188) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID95144188
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESNc1nc(N2CCOCC2)cc(N2CCC([C@H](O)c3ccccn3)CC2)n1
InChIInChI=1S/C19H26N6O2/c20-19-22-16(13-17(23-19)25-9-11-27-12-10-25)24-7-4-14(5-8-24)18(26)15-3-1-2-6-21-15/h1-3,6,13-14,18,26H,4-5,7-12H2,(H2,20,22,23)/t18-/m0/s1
InChIKeyPTZUAXADXBONEB-SFHVURJKSA-N
XLogP1.24
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol (CID 95144188) is (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol is Nc1nc(N2CCOCC2)cc(N2CCC([C@H](O)c3ccccn3)CC2)n1.
What is the InChIKey of (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is PTZUAXADXBONEB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N6O2/c20-19-22-16(13-17(23-19)25-9-11-27-12-10-25)24-7-4-14(5-8-24)18(26)15-3-1-2-6-21-15/h1-3,6,13-14,18,26H,4-5,7-12H2,(H2,20,22,23)/t18-/m0/s1.
What are the key properties of (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
(S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 370.46 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 95144188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).