tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate

C21H36N4O2 — CID 167460650

IUPACtert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCC(N(CC)c2ncnc(C)c2C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H36N4O2/c1-8-24(20(26)27-21(5,6)7)13-17-10-11-18(12-17)25(9-2)19-15(3)16(4)22-14-23-19/h14,17-18H,8-13H2,1-7H3
InChIKeyBAJNYEHJHRKTQX-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.35
Rot. Bonds6

About tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate

tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate (PubChem CID 167460650) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate
PubChem CID167460650
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Nametert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCC(N(CC)c2ncnc(C)c2C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H36N4O2/c1-8-24(20(26)27-21(5,6)7)13-17-10-11-18(12-17)25(9-2)19-15(3)16(4)22-14-23-19/h14,17-18H,8-13H2,1-7H3
InChIKeyBAJNYEHJHRKTQX-UHFFFAOYSA-N
XLogP4.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate with MolForge

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Related Compounds

(R)-tert-Butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 59682823
Tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960704
(S)-tert-butyl 3-methyl-4-((R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 58458250
4-Dimethylamino-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
CID 59493884
tert-butyl 4-(7H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 60093161
tert-butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 66617894
tert-butyl 3-methyl-4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 67338658
tert-butyl 3-methyl-4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 67338661
Tert-butyl 4-[2-(4-amino-6-methylpyrimidin-5-yl)ethynyl]piperidine-1-carboxylate
CID 90442568
tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 143606907
tert-butyl 4-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazine-1-carboxylate
CID 143606979
Tert-butyl 4-(5,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 144156421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate (CID 167460650) is tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate is CCN(CC1CCC(N(CC)c2ncnc(C)c2C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate?
The InChIKey is BAJNYEHJHRKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-8-24(20(26)27-21(5,6)7)13-17-10-11-18(12-17)25(9-2)19-15(3)16(4)22-14-23-19/h14,17-18H,8-13H2,1-7H3.
What are the key properties of tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate?
tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate has a molecular weight of 376.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[(5,6-dimethylpyrimidin-4-yl)-ethylamino]cyclopentyl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 167460650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).