tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate

C11H21N5O2 — CID 152679791

IUPACtert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C11H21N5O2/c1-10(2,3)18-9(17)15-7-5-11(13)4-6-14-8(12)16-11/h4,6H,5,7,13H2,1-3H3,(H,15,17)(H3,12,14,16)
InChIKeyZNHHQDAZMFFLEC-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.01
Rot. Bonds3

About tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate

tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate (PubChem CID 152679791) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate
PubChem CID152679791
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Nametert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C11H21N5O2/c1-10(2,3)18-9(17)15-7-5-11(13)4-6-14-8(12)16-11/h4,6H,5,7,13H2,1-3H3,(H,15,17)(H3,12,14,16)
InChIKeyZNHHQDAZMFFLEC-UHFFFAOYSA-N
XLogP-0.01
TPSA114.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]diaziridin-3-yl]methyl]carbamate
CID 172546743
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
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tert-butyl N-[2-(1-tert-butylperoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]carbamate
CID 71507360
tert-butyl N-[3-[(4-aminopyrimidin-5-yl)amino]-3-oxopropyl]carbamate
CID 70812164
tert-butyl N-[2-[[3-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]pyrazine-2-carbonyl]amino]ethyl]carbamate
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tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490429
tert-butyl N-[3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]propyl]carbamate
CID 106282437
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate (CID 152679791) is tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1(N)C=CNC(N)=N1.
What is the InChIKey of tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate?
The InChIKey is ZNHHQDAZMFFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-10(2,3)18-9(17)15-7-5-11(13)4-6-14-8(12)16-11/h4,6H,5,7,13H2,1-3H3,(H,15,17)(H3,12,14,16).
What are the key properties of tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,4-diamino-1H-pyrimidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 152679791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).