tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate

C10H14ClN3O3 — CID 144985934

IUPACtert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
SMILESCOc1nc(Cl)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H14ClN3O3/c1-10(2,3)17-9(15)14-7-5-6(11)12-8(13-7)16-4/h5H,1-4H3,(H,12,13,14,15)
InChIKeyMJDOZZZOZCTQCD-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate

tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate (PubChem CID 144985934) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
PubChem CID144985934
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Nametert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
SMILESCOc1nc(Cl)cc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H14ClN3O3/c1-10(2,3)17-9(15)14-7-5-6(11)12-8(13-7)16-4/h5H,1-4H3,(H,12,13,14,15)
InChIKeyMJDOZZZOZCTQCD-UHFFFAOYSA-N
XLogP2.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate (CID 144985934) is tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate is COc1nc(Cl)cc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate?
The InChIKey is MJDOZZZOZCTQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-10(2,3)17-9(15)14-7-5-6(11)12-8(13-7)16-4/h5H,1-4H3,(H,12,13,14,15).
What are the key properties of tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate?
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate has a molecular weight of 259.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate is sourced from PubChem (CID 144985934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).