tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate

C17H28N4O2 — CID 107254453

IUPACtert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1ccncn1)C1CCCC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-11-15(13-6-4-5-7-13)19-10-14-8-9-18-12-21-14/h8-9,12-13,15,19H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyXRMSZAQVFJINBX-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate (PubChem CID 107254453) 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-4-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
PubChem CID107254453
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NCc1ccncn1)C1CCCC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-11-15(13-6-4-5-7-13)19-10-14-8-9-18-12-21-14/h8-9,12-13,15,19H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyXRMSZAQVFJINBX-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

tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 106834314
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
CID 103922943
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
CID 106834309
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
CID 107252088
tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
CID 106834316
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
CID 107236805
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
CID 107251827
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate (CID 107254453) is tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NCc1ccncn1)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate?
The InChIKey is XRMSZAQVFJINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-11-15(13-6-4-5-7-13)19-10-14-8-9-18-12-21-14/h8-9,12-13,15,19H,4-7,10-11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-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-4-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107254453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).