(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

C11H14ClN3O5 — CID 170328874

IUPAC(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCOc1ncc(Cl)nc1N(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H14ClN3O5/c1-11(2,3)20-10(18)15(9(16)17)7-8(19-4)13-5-6(12)14-7/h5H,1-4H3,(H,16,17)
InChIKeyYUMDMMBVZROJQI-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.56
Rot. Bonds2

About (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (PubChem CID 170328874) has the molecular formula C11H14ClN3O5 and a molecular weight of 303.70 g/mol. Its IUPAC name is (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.

Molecular Properties

Compound Name(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
PubChem CID170328874
Molecular FormulaC11H14ClN3O5
Molecular Weight303.70 g/mol
Exact Mass303.06
IUPAC Name(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCOc1ncc(Cl)nc1N(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H14ClN3O5/c1-11(2,3)20-10(18)15(9(16)17)7-8(19-4)13-5-6(12)14-7/h5H,1-4H3,(H,16,17)
InChIKeyYUMDMMBVZROJQI-UHFFFAOYSA-N
XLogP2.56
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-3-methoxypyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170329086
tert-butyl N-(3-bromo-6-chloropyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118248910
tert-butyl N-(3,6-dichloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146285398
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 75529918
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
(3-fluoro-4-methyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161572
tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177000065
[5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 86680732
(8-bromo-5-methylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174230762
tert-butyl N-[2-chloro-5-(difluoromethoxy)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169119389
[2-[carboxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[4-(3-hydroxypropoxy)-3,5-dimethoxyphenyl]methyl]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 122690189
tert-butyl N-(5-chloro-4-formylpyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 123547852

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The IUPAC name of (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (CID 170328874) is (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.
What is the SMILES notation for (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The canonical SMILES for (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is COc1ncc(Cl)nc1N(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The InChIKey is YUMDMMBVZROJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O5/c1-11(2,3)20-10(18)15(9(16)17)7-8(19-4)13-5-6(12)14-7/h5H,1-4H3,(H,16,17).
What are the key properties of (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid has a molecular weight of 303.70 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is sourced from PubChem (CID 170328874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).