tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one

C19H32N4O4 — CID 145268915

IUPACtert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)OC(=O)NC1CCCCC1.O=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H21NO2.C8H11N3O2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h9H,4-8H2,1-3H3,(H,12,13);1-2H,3-6H2,(H,9,10,12)
InChIKeyJJLPBJASYMLYPE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one

tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 145268915) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nametert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID145268915
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Nametert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)OC(=O)NC1CCCCC1.O=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H21NO2.C8H11N3O2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h9H,4-8H2,1-3H3,(H,12,13);1-2H,3-6H2,(H,9,10,12)
InChIKeyJJLPBJASYMLYPE-UHFFFAOYSA-N
XLogP2.45
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 126674586
tert-butyl N-[1-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)azepan-3-yl]carbamate
CID 123942121
2-piperidin-1-yl-1H-pyrimidin-6-one
CID 1404202
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-(5-morpholin-4-yl-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 145406239
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
CID 163841745
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one (CID 145268915) is tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one is CC(C)(C)OC(=O)NC1CCCCC1.O=c1ccnc(N2CCOCC2)[nH]1.
What is the InChIKey of tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is JJLPBJASYMLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C8H11N3O2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;12-7-1-2-9-8(10-7)11-3-5-13-6-4-11/h9H,4-8H2,1-3H3,(H,12,13);1-2H,3-6H2,(H,9,10,12).
What are the key properties of tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one?
tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 380.49 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 145268915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).