4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol

C11H18N4O — CID 81109322

IUPAC4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCNc1cc(N2CCC(C)(O)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-11(16)3-5-15(6-4-11)10-7-9(12-2)13-8-14-10/h7-8,16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOXEBXFJZJOLOPC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol

4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 81109322) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID81109322
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCNc1cc(N2CCC(C)(O)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-11(16)3-5-15(6-4-11)10-7-9(12-2)13-8-14-10/h7-8,16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOXEBXFJZJOLOPC-UHFFFAOYSA-N
XLogP0.87
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108540
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
CID 136552980
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
3-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725125
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol (CID 81109322) is 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol is CNc1cc(N2CCC(C)(O)CC2)ncn1.
What is the InChIKey of 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is OXEBXFJZJOLOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(16)3-5-15(6-4-11)10-7-9(12-2)13-8-14-10/h7-8,16H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol?
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 222.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 81109322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).