1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C13H22N4O — CID 81107819

IUPAC1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCNc1nc(C)nc(N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-11(14-4)15-10(2)16-12(9)17-7-5-13(3,18)6-8-17/h18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYQJPERPQMGTTNL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.49
Rot. Bonds2

About 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81107819) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81107819
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCNc1nc(C)nc(N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C13H22N4O/c1-9-11(14-4)15-10(2)16-12(9)17-7-5-13(3,18)6-8-17/h18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyYQJPERPQMGTTNL-UHFFFAOYSA-N
XLogP1.49
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azetidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine;ethane
CID 91242494
6-(4-tert-butylpiperazin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795535
6-(2,2-dimethylpyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80828637
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
1-(6-amino-2,5-dimethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409067
4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80844651
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 80805607
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 107460213
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81107819) is 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CNc1nc(C)nc(N2CCC(C)(O)CC2)c1C.
What is the InChIKey of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is YQJPERPQMGTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-11(14-4)15-10(2)16-12(9)17-7-5-13(3,18)6-8-17/h18H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81107819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).