ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate

C19H19FN2O5 — CID 134975279

IUPACethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate
SMILESC=C(Cc1nc(OC)nc(OC)c1C(=O)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C19H19FN2O5/c1-5-27-18(24)11(2)10-14-15(17(25-3)22-19(21-14)26-4)16(23)12-6-8-13(20)9-7-12/h6-9H,2,5,10H2,1,3-4H3
InChIKeyCZIHJDZTZBQHQJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.53
Rot. Bonds8

About ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate

ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate (PubChem CID 134975279) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate
PubChem CID134975279
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Nameethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate
SMILESC=C(Cc1nc(OC)nc(OC)c1C(=O)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C19H19FN2O5/c1-5-27-18(24)11(2)10-14-15(17(25-3)22-19(21-14)26-4)16(23)12-6-8-13(20)9-7-12/h6-9H,2,5,10H2,1,3-4H3
InChIKeyCZIHJDZTZBQHQJ-UHFFFAOYSA-N
XLogP2.53
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-ethoxy-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306252
(4-Fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone
CID 24766454
Ethyl 2-amino-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidine-5-carboxylate
CID 24987285
Ethyl 2,4-dimethoxy-6-(4-(trifluoromethyl)phenyl)pyrimidine-5-carboxylate
CID 44631770
Ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate
CID 67032356
Ethyl 4-(4-fluorophenyl)-2-methoxy-6-propan-2-ylpyrimidine-5-carboxylate
CID 21713224
Ethyl 2-ethyl-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 122219394
Ethyl 2-butyl-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 139241110
Ethyl 4-(4-fluorophenyl)-6-methyl-2-octylpyrimidine-5-carboxylate
CID 139241115
Ethyl 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylate
CID 139241118
Ethyl 4-(4-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate
CID 154708109
Ethyl 4-(2-fluorophenyl)-2-methoxy-6-methylpyrimidine-5-carboxylate
CID 154708110

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate (CID 134975279) is ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate is C=C(Cc1nc(OC)nc(OC)c1C(=O)c1ccc(F)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate?
The InChIKey is CZIHJDZTZBQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-5-27-18(24)11(2)10-14-15(17(25-3)22-19(21-14)26-4)16(23)12-6-8-13(20)9-7-12/h6-9H,2,5,10H2,1,3-4H3.
What are the key properties of ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate?
ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate has a molecular weight of 374.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate is sourced from PubChem (CID 134975279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).