[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol

C19H32N6O2 — CID 95124436

IUPAC[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESNc1nc(N2CCOCC2)cc(N2CCC(N3CCC[C@H](CO)C3)CC2)n1
InChIInChI=1S/C19H32N6O2/c20-19-21-17(12-18(22-19)24-8-10-27-11-9-24)23-6-3-16(4-7-23)25-5-1-2-15(13-25)14-26/h12,15-16,26H,1-11,13-14H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyFBVYYTOWGGVKDP-HNNXBMFYSA-N
MW376.51 g/mol
LogP0.57
Rot. Bonds4

About [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol

[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 95124436) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID95124436
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESNc1nc(N2CCOCC2)cc(N2CCC(N3CCC[C@H](CO)C3)CC2)n1
InChIInChI=1S/C19H32N6O2/c20-19-21-17(12-18(22-19)24-8-10-27-11-9-24)23-6-3-16(4-7-23)25-5-1-2-15(13-25)14-26/h12,15-16,26H,1-11,13-14H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyFBVYYTOWGGVKDP-HNNXBMFYSA-N
XLogP0.57
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol (CID 95124436) is [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol is Nc1nc(N2CCOCC2)cc(N2CCC(N3CCC[C@H](CO)C3)CC2)n1.
What is the InChIKey of [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is FBVYYTOWGGVKDP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N6O2/c20-19-21-17(12-18(22-19)24-8-10-27-11-9-24)23-6-3-16(4-7-23)25-5-1-2-15(13-25)14-26/h12,15-16,26H,1-11,13-14H2,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol?
[(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 376.51 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 95124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).