3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol

C17H28N4O2 — CID 126889548

IUPAC3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
SMILESCc1cc(N(C)C2CCN(CC3(O)CCCOC3)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-14-10-16(19-13-18-14)20(2)15-4-7-21(8-5-15)11-17(22)6-3-9-23-12-17/h10,13,15,22H,3-9,11-12H2,1-2H3
InChIKeyXTGCUEKGJZASPP-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.23
Rot. Bonds4

About 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol

3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol (PubChem CID 126889548) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
PubChem CID126889548
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
SMILESCc1cc(N(C)C2CCN(CC3(O)CCCOC3)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-14-10-16(19-13-18-14)20(2)15-4-7-21(8-5-15)11-17(22)6-3-9-23-12-17/h10,13,15,22H,3-9,11-12H2,1-2H3
InChIKeyXTGCUEKGJZASPP-UHFFFAOYSA-N
XLogP1.23
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
1-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 126891669
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
3-(pyrrolidin-1-ylmethyl)oxan-3-ol
CID 84732714
2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864206
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
3-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943739
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889372

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol?
The IUPAC name of 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol (CID 126889548) is 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol.
What is the SMILES notation for 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol?
The canonical SMILES for 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol is Cc1cc(N(C)C2CCN(CC3(O)CCCOC3)CC2)ncn1.
What is the InChIKey of 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol?
The InChIKey is XTGCUEKGJZASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14-10-16(19-13-18-14)20(2)15-4-7-21(8-5-15)11-17(22)6-3-9-23-12-17/h10,13,15,22H,3-9,11-12H2,1-2H3.
What are the key properties of 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol?
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol has a molecular weight of 320.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol is sourced from PubChem (CID 126889548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).