tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate

C21H31N5O4 — CID 170573024

IUPACtert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1
InChIInChI=1S/C21H31N5O4/c1-21(2,3)30-20(27)23-15-4-6-16(7-5-15)29-19-24-18(25-10-12-28-13-11-25)14-17-22-8-9-26(17)19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,23,27)
InChIKeyRTGBIFDVXQAXAL-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate

tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate (PubChem CID 170573024) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
PubChem CID170573024
Molecular FormulaC21H31N5O4
Molecular Weight417.51 g/mol
Exact Mass417.24
IUPAC Nametert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1
InChIInChI=1S/C21H31N5O4/c1-21(2,3)30-20(27)23-15-4-6-16(7-5-15)29-19-24-18(25-10-12-28-13-11-25)14-17-22-8-9-26(17)19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,23,27)
InChIKeyRTGBIFDVXQAXAL-UHFFFAOYSA-N
XLogP2.78
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-((4-(1H-imidazol-1-yl)cyclohexyl)oxy)imidazo[1,2-c]pyrimidin-7-yl)morpholine
CID 170394458
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394462
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrazin-2-amine
CID 170394465
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 170394581
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-5-carboxamide
CID 170394583
tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 126674586
tert-butyl N-[(3S,4S)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 153474480
CID 153558685
CID 153558685
sodium 5-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidine-8-thiolate
CID 164832694
tert-butyl N-[(1R,3S)-3-imidazo[1,5-a]pyrimidin-6-ylcyclohexyl]carbamate
CID 168893905
N-methyl-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]azirin-1-amine
CID 170395743
(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide
CID 170573029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate (CID 170573024) is tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1.
What is the InChIKey of tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
The InChIKey is RTGBIFDVXQAXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-21(2,3)30-20(27)23-15-4-6-16(7-5-15)29-19-24-18(25-10-12-28-13-11-25)14-17-22-8-9-26(17)19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate?
tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 170573024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).