2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol

C16H28N4O — CID 107229306

IUPAC2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
SMILESCCCc1c(NCC)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C16H28N4O/c1-3-6-14-15(17-4-2)18-12-19-16(14)20-9-5-7-13(11-20)8-10-21/h12-13,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyVHYWOWZEHSBKIU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds7

About 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol

2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol (PubChem CID 107229306) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
PubChem CID107229306
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
SMILESCCCc1c(NCC)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C16H28N4O/c1-3-6-14-15(17-4-2)18-12-19-16(14)20-9-5-7-13(11-20)8-10-21/h12-13,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyVHYWOWZEHSBKIU-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229347
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
N-ethyl-6-(3-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80792384

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol (CID 107229306) is 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol is CCCc1c(NCC)ncnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is VHYWOWZEHSBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-6-14-15(17-4-2)18-12-19-16(14)20-9-5-7-13(11-20)8-10-21/h12-13,21H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol?
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107229306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).