(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate

C10H12ClN3O4 — CID 126486076

IUPAC(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate
SMILESCOc1nc(Cl)cc(OC(=O)C2CNCCO2)n1
InChIInChI=1S/C10H12ClN3O4/c1-16-10-13-7(11)4-8(14-10)18-9(15)6-5-12-2-3-17-6/h4,6,12H,2-3,5H2,1H3
InChIKeyWZWGJKWHLGJQQZ-UHFFFAOYSA-N
MW273.68 g/mol
LogP0.03
Rot. Bonds3

About (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate

(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate (PubChem CID 126486076) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate.

Molecular Properties

Compound Name(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate
PubChem CID126486076
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate
SMILESCOc1nc(Cl)cc(OC(=O)C2CNCCO2)n1
InChIInChI=1S/C10H12ClN3O4/c1-16-10-13-7(11)4-8(14-10)18-9(15)6-5-12-2-3-17-6/h4,6,12H,2-3,5H2,1H3
InChIKeyWZWGJKWHLGJQQZ-UHFFFAOYSA-N
XLogP0.03
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[methoxy(dimethyl)silyl]-N-methylmorpholine-2-carboxamide
CID 69339522
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
CID 126486008
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
(2R)-morpholine-2-carboxamide
CID 51600069
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
ethane;morpholine-2-carboxylic acid
CID 170608685
ethane;1-morpholin-2-ylethanone
CID 143224838
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
CID 70624241

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate?
The IUPAC name of (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate (CID 126486076) is (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate.
What is the SMILES notation for (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate?
The canonical SMILES for (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate is COc1nc(Cl)cc(OC(=O)C2CNCCO2)n1.
What is the InChIKey of (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate?
The InChIKey is WZWGJKWHLGJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c1-16-10-13-7(11)4-8(14-10)18-9(15)6-5-12-2-3-17-6/h4,6,12H,2-3,5H2,1H3.
What are the key properties of (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate?
(6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate has a molecular weight of 273.68 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methoxypyrimidin-4-yl) morpholine-2-carboxylate is sourced from PubChem (CID 126486076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).