(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol

C16H26N4O2 — CID 97283173

IUPAC(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol
SMILESCc1cc(C)nc(N2CCC(N3CCOC[C@@H](O)C3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-12-9-13(2)18-16(17-12)19-5-3-14(4-6-19)20-7-8-22-11-15(21)10-20/h9,14-15,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyGAMVNCLOXRUJMV-HNNXBMFYSA-N
MW306.41 g/mol
LogP0.76
Rot. Bonds2

About (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol

(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol (PubChem CID 97283173) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol
PubChem CID97283173
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol
SMILESCc1cc(C)nc(N2CCC(N3CCOC[C@@H](O)C3)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-12-9-13(2)18-16(17-12)19-5-3-14(4-6-19)20-7-8-22-11-15(21)10-20/h9,14-15,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyGAMVNCLOXRUJMV-HNNXBMFYSA-N
XLogP0.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol?
The IUPAC name of (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol (CID 97283173) is (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol.
What is the SMILES notation for (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol?
The canonical SMILES for (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol is Cc1cc(C)nc(N2CCC(N3CCOC[C@@H](O)C3)CC2)n1.
What is the InChIKey of (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol?
The InChIKey is GAMVNCLOXRUJMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-13(2)18-16(17-12)19-5-3-14(4-6-19)20-7-8-22-11-15(21)10-20/h9,14-15,21H,3-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol?
(6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol has a molecular weight of 306.41 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 97283173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).