1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

C19H30N4O3 — CID 126783509

IUPAC1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESCCOc1cc(NC2CCN(C(=O)CC3(O)CCCCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O3/c1-2-26-17-12-16(20-14-21-17)22-15-6-10-23(11-7-15)18(24)13-19(25)8-4-3-5-9-19/h12,14-15,25H,2-11,13H2,1H3,(H,20,21,22)
InChIKeyFIJYSTYAWQMNGH-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.36
Rot. Bonds6

About 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 126783509) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
PubChem CID126783509
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESCCOc1cc(NC2CCN(C(=O)CC3(O)CCCCC3)CC2)ncn1
InChIInChI=1S/C19H30N4O3/c1-2-26-17-12-16(20-14-21-17)22-15-6-10-23(11-7-15)18(24)13-19(25)8-4-3-5-9-19/h12,14-15,25H,2-11,13H2,1H3,(H,20,21,22)
InChIKeyFIJYSTYAWQMNGH-UHFFFAOYSA-N
XLogP2.36
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone with MolForge

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Related Compounds

N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
4-Hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867303
4-Fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867311
N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171328398
N-(2-{[6-(piperidin-1-yl)pyrimidin-4-yl]oxy}ethyl)cyclopentanecarboxamide
CID 45542043
(NZ)-N-(1-amino-2-methylpropylidene)-4-[3-[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]oxypropyl]piperidine-1-carboxamide;piperidin-2-one
CID 144051469
tert-butyl N-[4-(6-piperidin-1-ylpyrimidin-4-yl)oxycyclohexyl]carbamate
CID 159910220
Cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 56815250
2-Cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid
CID 66318107
6-[(6-Ethoxypyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 66318117
4-[2-[(6-Ethoxypyrimidin-4-yl)amino]ethyl]heptanoic acid
CID 66319003
3-[(6-Ethoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 66319217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone (CID 126783509) is 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone is CCOc1cc(NC2CCN(C(=O)CC3(O)CCCCC3)CC2)ncn1.
What is the InChIKey of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is FIJYSTYAWQMNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-26-17-12-16(20-14-21-17)22-15-6-10-23(11-7-15)18(24)13-19(25)8-4-3-5-9-19/h12,14-15,25H,2-11,13H2,1H3,(H,20,21,22).
What are the key properties of 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone?
1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 362.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 126783509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).