tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate

C11H18N4O2S — CID 101332601

IUPACtert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate
SMILESCCSc1nc(N)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H18N4O2S/c1-5-18-9-13-7(12)6-8(14-9)15-10(16)17-11(2,3)4/h6H,5H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyLYUAKQCATREVKH-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate

tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate (PubChem CID 101332601) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate
PubChem CID101332601
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nametert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate
SMILESCCSc1nc(N)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H18N4O2S/c1-5-18-9-13-7(12)6-8(14-9)15-10(16)17-11(2,3)4/h6H,5H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyLYUAKQCATREVKH-UHFFFAOYSA-N
XLogP2.52
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-[4-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamate;ethylbenzene;prop-1-yne
CID 142394079
4-N-(3,5-dimethylphenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
CID 53214493
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate (CID 101332601) is tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate is CCSc1nc(N)cc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate?
The InChIKey is LYUAKQCATREVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-5-18-9-13-7(12)6-8(14-9)15-10(16)17-11(2,3)4/h6H,5H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate?
tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate has a molecular weight of 270.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-2-ethylsulfanylpyrimidin-4-yl)carbamate is sourced from PubChem (CID 101332601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).