1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol

C13H22N4O — CID 102971036

IUPAC1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
SMILESCCNc1ncc(C)c(N2CCC(C)C(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(18)8-17/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMLOYPCSSFRTQAX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol

1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol (PubChem CID 102971036) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
PubChem CID102971036
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
SMILESCCNc1ncc(C)c(N2CCC(C)C(O)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(18)8-17/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMLOYPCSSFRTQAX-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
4-(3,5-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80767776
[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789926
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol (CID 102971036) is 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol is CCNc1ncc(C)c(N2CCC(C)C(O)C2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The InChIKey is MLOYPCSSFRTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(18)8-17/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol has a molecular weight of 250.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).