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

C11H18N4O — CID 80755881

IUPAC[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCNc1cc(N2CCC(CO)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-12-10-6-11(14-8-13-10)15-4-2-9(7-16)3-5-15/h6,8-9,16H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyXIZCVVHEBQDAQL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds3

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

[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 80755881) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID80755881
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCNc1cc(N2CCC(CO)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-12-10-6-11(14-8-13-10)15-4-2-9(7-16)3-5-15/h6,8-9,16H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyXIZCVVHEBQDAQL-UHFFFAOYSA-N
XLogP0.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 102789924
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
6-[4-(2-methoxypropan-2-yl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 166315850
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol (CID 80755881) is [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is CNc1cc(N2CCC(CO)CC2)ncn1.
What is the InChIKey of [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is XIZCVVHEBQDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-10-6-11(14-8-13-10)15-4-2-9(7-16)3-5-15/h6,8-9,16H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol?
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80755881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).