tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate

C10H14BrN3O2 — CID 89243683

IUPACtert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnc(Br)nc1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14(4)7-5-12-8(11)13-6-7/h5-6H,1-4H3
InChIKeyCADYCDSNFBZUCS-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.61
Rot. Bonds1

About tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate

tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate (PubChem CID 89243683) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
PubChem CID89243683
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Nametert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cnc(Br)nc1
InChIInChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14(4)7-5-12-8(11)13-6-7/h5-6H,1-4H3
InChIKeyCADYCDSNFBZUCS-UHFFFAOYSA-N
XLogP2.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(5-acetylpyrimidin-2-yl)-N-methylcarbamate
CID 140897159
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-(6-isothiocyanato-5-methyl-3-pyridinyl)-N-methylcarbamate
CID 155632111
[5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl methanesulfonate
CID 118905606
tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
CID 123401637
tert-butyl N-[4-[2-[6-(dimethylamino)-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 123193480
tert-butyl N-[6-bromo-5-(trifluoromethyl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 168966626
tert-butyl N-(5-bromo-4-cyano-1H-pyrazol-3-yl)-N-methylcarbamate
CID 168927877
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-[6-azido-5-(trifluoromethyl)-3-pyridinyl]-N-methylcarbamate
CID 155632108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate (CID 89243683) is tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cnc(Br)nc1.
What is the InChIKey of tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate?
The InChIKey is CADYCDSNFBZUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14(4)7-5-12-8(11)13-6-7/h5-6H,1-4H3.
What are the key properties of tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate?
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate has a molecular weight of 288.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate is sourced from PubChem (CID 89243683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).