methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate

C20H24N2O5 — CID 67742279

IUPACmethyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H24N2O5/c1-12(2)14-8-7-9-15(10-14)27-19-17(16(11-24-4)20(23)26-6)18(25-5)21-13(3)22-19/h7-12H,1-6H3/b16-11-
InChIKeyJAVNRRONLZGVKH-WJDWOHSUSA-N
MW372.42 g/mol
LogP3.87
Rot. Bonds7

About methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate

methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate (PubChem CID 67742279) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
PubChem CID67742279
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C20H24N2O5/c1-12(2)14-8-7-9-15(10-14)27-19-17(16(11-24-4)20(23)26-6)18(25-5)21-13(3)22-19/h7-12H,1-6H3/b16-11-
InChIKeyJAVNRRONLZGVKH-WJDWOHSUSA-N
XLogP3.87
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-methyl-5-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
CID 67742301
methyl (E)-3-methoxy-2-[4-(3-methoxyphenoxy)-2-methyl-6-methylsulfanylpyrimidin-5-yl]prop-2-enoate
CID 70104033
[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate
CID 67669234
methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate
CID 67742281
methyl 2-[4-methoxy-6-(3-phenoxyphenoxy)pyrimidin-5-yl]but-2-enoate
CID 57002182
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
2-[4-(3-methoxyphenoxy)-2-methyl-6-methylsulfanylpyrimidin-5-yl]but-2-enoic acid
CID 70121164
2-methoxy-6-(3-propan-2-ylphenoxy)pyridin-3-amine
CID 43262016
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
methyl 2-[4-[3-(2-cyanophenoxy)phenoxy]-2-methyl-6-methylsulfanylpyrimidin-5-yl]but-2-enoate
CID 70106545
methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
CID 54271872
(Z)-3-methoxy-2-[4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]prop-2-enoic acid
CID 67667683

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate (CID 67742279) is methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate is CO/C=C(\C(=O)OC)c1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1.
What is the InChIKey of methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate?
The InChIKey is JAVNRRONLZGVKH-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12(2)14-8-7-9-15(10-14)27-19-17(16(11-24-4)20(23)26-6)18(25-5)21-13(3)22-19/h7-12H,1-6H3/b16-11-.
What are the key properties of methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate?
methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate has a molecular weight of 372.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate is sourced from PubChem (CID 67742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).