[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol

C12H19N3O2 — CID 114170393

IUPAC[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCc1cc(NC2(CO)CCOCC2)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-10(2)13-9)15-12(8-16)3-5-17-6-4-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyQOWINXHMTWOHML-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds3

About [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 114170393) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID114170393
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCc1cc(NC2(CO)CCOCC2)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(14-10(2)13-9)15-12(8-16)3-5-17-6-4-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyQOWINXHMTWOHML-UHFFFAOYSA-N
XLogP1.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115899064
[4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301181
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 106298125
[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol
CID 144626299
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106301141
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 114170393) is [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol is Cc1cc(NC2(CO)CCOCC2)nc(C)n1.
What is the InChIKey of [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is QOWINXHMTWOHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-11(14-10(2)13-9)15-12(8-16)3-5-17-6-4-12/h7,16H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 114170393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).