tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate

C19H30N4O4 — CID 126674586

IUPACtert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(24)21-14-4-6-15(7-5-14)26-17-20-9-8-16(22-17)23-10-12-25-13-11-23/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,21,24)
InChIKeySTCIUCKYHCQVLZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate

tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate (PubChem CID 126674586) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
PubChem CID126674586
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nametert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H30N4O4/c1-19(2,3)27-18(24)21-14-4-6-15(7-5-14)26-17-20-9-8-16(22-17)23-10-12-25-13-11-23/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,21,24)
InChIKeySTCIUCKYHCQVLZ-UHFFFAOYSA-N
XLogP2.53
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
CID 145268915
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]carbamate
CID 126674823
tert-butyl N-[4-[(3-chloro-7-morpholin-4-ylisoquinolin-1-yl)amino]cyclohexyl]carbamate
CID 178036730
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
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
tert-butyl 4-[4-iodo-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-2-pyridinyl]piperazine-1-carboxylate
CID 166166551
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate (CID 126674586) is tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2nccc(N3CCOCC3)n2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The InChIKey is STCIUCKYHCQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-19(2,3)27-18(24)21-14-4-6-15(7-5-14)26-17-20-9-8-16(22-17)23-10-12-25-13-11-23/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate?
tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 126674586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).