(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol

C18H30N4O2 — CID 56914426

IUPAC(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol
SMILESCc1nc(C2CCN(C[C@H](C)CO)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H30N4O2/c1-14(13-23)12-21-5-3-16(4-6-21)17-11-18(20-15(2)19-17)22-7-9-24-10-8-22/h11,14,16,23H,3-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyRHCJAWPLWBWOOU-AWEZNQCLSA-N
MW334.46 g/mol
LogP1.43
Rot. Bonds5

About (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol

(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol (PubChem CID 56914426) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol
PubChem CID56914426
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol
SMILESCc1nc(C2CCN(C[C@H](C)CO)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H30N4O2/c1-14(13-23)12-21-5-3-16(4-6-21)17-11-18(20-15(2)19-17)22-7-9-24-10-8-22/h11,14,16,23H,3-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyRHCJAWPLWBWOOU-AWEZNQCLSA-N
XLogP1.43
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol (CID 56914426) is (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol is Cc1nc(C2CCN(C[C@H](C)CO)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol?
The InChIKey is RHCJAWPLWBWOOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(13-23)12-21-5-3-16(4-6-21)17-11-18(20-15(2)19-17)22-7-9-24-10-8-22/h11,14,16,23H,3-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol?
(2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol has a molecular weight of 334.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 56914426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).