1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol

C13H22N4O — CID 102971284

IUPAC1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
SMILESCCNc1ncnc(N2CCC(C)C(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-10(3)13(16-8-15-12)17-6-5-9(2)11(18)7-17/h8-9,11,18H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyISHPOISATIGJQL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.42
Rot. Bonds3

About 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol

1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol (PubChem CID 102971284) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
PubChem CID102971284
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
SMILESCCNc1ncnc(N2CCC(C)C(O)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-14-12-10(3)13(16-8-15-12)17-6-5-9(2)11(18)7-17/h8-9,11,18H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyISHPOISATIGJQL-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-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 102971342

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol (CID 102971284) is 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol is CCNc1ncnc(N2CCC(C)C(O)C2)c1C.
What is the InChIKey of 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
The InChIKey is ISHPOISATIGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-12-10(3)13(16-8-15-12)17-6-5-9(2)11(18)7-17/h8-9,11,18H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol?
1-[6-(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-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).