tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate

C11H14N4O2 — CID 23625857

IUPACtert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccnc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15(4)9-5-6-13-8(7-12)14-9/h5-6H,1-4H3
InChIKeyWLAKDCOAXMYWQH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate

tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate (PubChem CID 23625857) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
PubChem CID23625857
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nametert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccnc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15(4)9-5-6-13-8(7-12)14-9/h5-6H,1-4H3
InChIKeyWLAKDCOAXMYWQH-UHFFFAOYSA-N
XLogP1.72
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
methyl 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]acetate
CID 70327195
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-prop-1-en-2-ylpyrimidin-4-yl)carbamate
CID 166129397
tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585
tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
CID 145198356
tert-butyl 3-[(2-cyanopyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 171599537
ethyl 3-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]prop-2-enoate
CID 57293438
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N-methylcarbamate
CID 23150978
tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate
CID 76849185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate (CID 23625857) is tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccnc(C#N)n1.
What is the InChIKey of tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate?
The InChIKey is WLAKDCOAXMYWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15(4)9-5-6-13-8(7-12)14-9/h5-6H,1-4H3.
What are the key properties of tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate?
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate has a molecular weight of 234.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate is sourced from PubChem (CID 23625857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).