tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate

C11H18N4O2 — CID 76845177

IUPACtert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1cncnc1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-6-9(12)8-4-13-7-14-5-8/h4-5,7,9H,6,12H2,1-3H3,(H,15,16)
InChIKeyIFWSZKFWRSKRLF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.00
Rot. Bonds3

About tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate

tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate (PubChem CID 76845177) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
PubChem CID76845177
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1cncnc1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-6-9(12)8-4-13-7-14-5-8/h4-5,7,9H,6,12H2,1-3H3,(H,15,16)
InChIKeyIFWSZKFWRSKRLF-UHFFFAOYSA-N
XLogP1.00
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
methyl 4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 51601300
tert-butyl N-[(2S)-2-amino-2-(3-iodophenyl)ethyl]carbamate
CID 99909259
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate (CID 76845177) is tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(N)c1cncnc1.
What is the InChIKey of tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate?
The InChIKey is IFWSZKFWRSKRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-6-9(12)8-4-13-7-14-5-8/h4-5,7,9H,6,12H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate?
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate is sourced from PubChem (CID 76845177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).