methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate

C9H9ClN2O3 — CID 131733909

IUPACmethyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)nc(OC)n1
InChIInChI=1S/C9H9ClN2O3/c1-14-8(13)4-3-6-5-7(10)12-9(11-6)15-2/h3-5H,1-2H3
InChIKeyYNBZNQNGMIZTNS-UHFFFAOYSA-N
MW228.64 g/mol
LogP1.32
Rot. Bonds3

About methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate

methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate (PubChem CID 131733909) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.64 g/mol. Its IUPAC name is methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate
PubChem CID131733909
Molecular FormulaC9H9ClN2O3
Molecular Weight228.64 g/mol
Exact Mass228.03
IUPAC Namemethyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)nc(OC)n1
InChIInChI=1S/C9H9ClN2O3/c1-14-8(13)4-3-6-5-7(10)12-9(11-6)15-2/h3-5H,1-2H3
InChIKeyYNBZNQNGMIZTNS-UHFFFAOYSA-N
XLogP1.32
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(5-amino-6-chloro-2-pyridinyl)prop-2-enoate
CID 169478728
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
CID 68843294
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-(3,4,5-trichlorophenyl)prop-2-enoate
CID 169478850
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
methyl 3-(5-methyl-1,2-oxazol-3-yl)prop-2-enoate
CID 131844045
methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
CID 83765886
methyl (E)-3-(6-bromo-2-pyridinyl)prop-2-enoate
CID 66524534
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate?
The IUPAC name of methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate (CID 131733909) is methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate is COC(=O)C=Cc1cc(Cl)nc(OC)n1.
What is the InChIKey of methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate?
The InChIKey is YNBZNQNGMIZTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-14-8(13)4-3-6-5-7(10)12-9(11-6)15-2/h3-5H,1-2H3.
What are the key properties of methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate?
methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate has a molecular weight of 228.64 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-chloro-2-methoxypyrimidin-4-yl)prop-2-enoate is sourced from PubChem (CID 131733909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).