1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol

C13H22N4O — CID 80993142

IUPAC1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1nc(NC)c(C)c(N2CCCC(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-11-15-12(14-3)9(2)13(16-11)17-7-5-6-10(18)8-17/h10,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDWGSCSTXFOGADI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol

1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 80993142) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID80993142
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1nc(NC)c(C)c(N2CCCC(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-11-15-12(14-3)9(2)13(16-11)17-7-5-6-10(18)8-17/h10,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyDWGSCSTXFOGADI-UHFFFAOYSA-N
XLogP1.35
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
6-(3,4-dimethylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984292
6-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80993261
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198717
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 81006239
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
CID 71648045
6-(2,5-dimethylpiperidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80991992

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol (CID 80993142) is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol is CCc1nc(NC)c(C)c(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is DWGSCSTXFOGADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-15-12(14-3)9(2)13(16-11)17-7-5-6-10(18)8-17/h10,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 250.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 80993142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).