tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate

C17H28N4O2 — CID 106834314

IUPACtert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1cncnc1)C1CCCC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)21-11-15(14-6-4-5-7-14)20-10-13-8-18-12-19-9-13/h8-9,12,14-15,20H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyKMMDOEHKAPFKKH-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate (PubChem CID 106834314) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
PubChem CID106834314
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1cncnc1)C1CCCC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)21-11-15(14-6-4-5-7-14)20-10-13-8-18-12-19-9-13/h8-9,12,14-15,20H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyKMMDOEHKAPFKKH-UHFFFAOYSA-N
XLogP2.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-4-{[(5-methylpyrimidin-2-ylmethyl)-tertbutoxycarbonylamino]-methyl}-piperidine
CID 129851254
tert-butyl N-[[1-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]cyclohexyl]methyl]carbamate
CID 86695602
tert-butyl N-[[(2R)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 97174520
tert-butyl (4S)-4-[[2-(cyclopropylamino)-2-oxoethyl]-(pyrimidin-5-ylmethyl)amino]azepane-1-carboxylate
CID 100717989
tert-butyl N-[[1-[(2-ethylpyrimidin-5-yl)methylamino]cyclopentyl]methyl]carbamate
CID 126815283
tert-butyl N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methylamino]cyclopentyl]methyl]carbamate
CID 126826981
tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 127266921
tert-butyl N-[[4-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methyl]carbamate
CID 57722687
1,1-dimethylethyl(1R,4S,6R)-4-({[5-(trifluoromethyl)-2-pyrimidinyl]amino}methyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363723
{4-[(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-methyl]-cyclohexyl}-carbamic acid tert-butyl ester
CID 59845697
tert-Butyl 2-(((5-fluoropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate
CID 60137513
tert-Butyl 3-((5-fluoropyrimidin-2-yl)amino)pyrrolidine-1-carboxylate
CID 66519824

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate (CID 106834314) is tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NCc1cncnc1)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate?
The InChIKey is KMMDOEHKAPFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)21-11-15(14-6-4-5-7-14)20-10-13-8-18-12-19-9-13/h8-9,12,14-15,20H,4-7,10-11H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 106834314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).