methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate

C18H15ClFN3O4 — CID 67094420

IUPACmethyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)c(F)c2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C18H15ClFN3O4/c1-25-13-6-5-10(8-12(13)20)16-22-15(18(24)26-2)14(19)17(23-16)21-9-11-4-3-7-27-11/h3-8H,9H2,1-2H3,(H,21,22,23)
InChIKeyWUFSALZXZXJQOP-UHFFFAOYSA-N
MW391.79 g/mol
LogP3.94
Rot. Bonds6

About methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate

methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate (PubChem CID 67094420) has the molecular formula C18H15ClFN3O4 and a molecular weight of 391.79 g/mol. Its IUPAC name is methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
PubChem CID67094420
Molecular FormulaC18H15ClFN3O4
Molecular Weight391.79 g/mol
Exact Mass391.07
IUPAC Namemethyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)c(F)c2)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C18H15ClFN3O4/c1-25-13-6-5-10(8-12(13)20)16-22-15(18(24)26-2)14(19)17(23-16)21-9-11-4-3-7-27-11/h3-8H,9H2,1-2H3,(H,21,22,23)
InChIKeyWUFSALZXZXJQOP-UHFFFAOYSA-N
XLogP3.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-chloro-2-[4-chloro-2-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220608
methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
CID 67095104
methyl 2-[2,4-bis(trifluoromethyl)phenyl]-5-chloro-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 87266438
methyl 5-chloro-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220919
5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide;methyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 158544121
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 33405195
[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1296965
methyl 2,5-dichloro-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylate
CID 87422205
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
CID 140564385
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate (CID 67094420) is methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(OC)c(F)c2)nc(NCc2ccco2)c1Cl.
What is the InChIKey of methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate?
The InChIKey is WUFSALZXZXJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4/c1-25-13-6-5-10(8-12(13)20)16-22-15(18(24)26-2)14(19)17(23-16)21-9-11-4-3-7-27-11/h3-8H,9H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate?
methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate has a molecular weight of 391.79 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 67094420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).