tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C21H33N3O5 — CID 118055996

IUPACtert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCOC1CCC(c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C21H33N3O5/c1-20(2,3)28-18(25)24(19(26)29-21(4,5)6)17-13-22-16(12-23-17)14-8-10-15(27-7)11-9-14/h12-15H,8-11H2,1-7H3
InChIKeyAWQIEPQMBSPBSV-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.83
Rot. Bonds3

About tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 118055996) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID118055996
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Nametert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCOC1CCC(c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn2)CC1
InChIInChI=1S/C21H33N3O5/c1-20(2,3)28-18(25)24(19(26)29-21(4,5)6)17-13-22-16(12-23-17)14-8-10-15(27-7)11-9-14/h12-15H,8-11H2,1-7H3
InChIKeyAWQIEPQMBSPBSV-UHFFFAOYSA-N
XLogP4.83
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate
CID 174798238
tert-butyl N-amino-N-(3-cyano-6-cyclopropylpyrazin-2-yl)carbamate
CID 156846934
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl 2-(azidomethyl)-4-(5-cyclopropylpyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 89466024
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl N-(4-fluoro-5-iodo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163238627
tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
CID 170775187
tert-butyl 4-[6-(4-methoxypiperidin-1-yl)pyridazin-3-yl]piperidine-1-carboxylate
CID 170182115
2-tert-butyl-5-cyclopropylpyrazine
CID 90224246
tert-butyl (8R,9aR)-8-(5-cyclopropylpyrazin-2-yl)oxy-5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-2-carboxylate
CID 86723196
methyl 3-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-2-(cyclopentanecarbonylamino)propanoate
CID 153492387
tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 146560509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 118055996) is tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is COC1CCC(c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn2)CC1.
What is the InChIKey of tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is AWQIEPQMBSPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-20(2,3)28-18(25)24(19(26)29-21(4,5)6)17-13-22-16(12-23-17)14-8-10-15(27-7)11-9-14/h12-15H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 118055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).