methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate

C19H18ClN3O4 — CID 67095104

IUPACmethyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2C)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O4/c1-11-9-12(25-2)6-7-14(11)17-22-16(19(24)26-3)15(20)18(23-17)21-10-13-5-4-8-27-13/h4-9H,10H2,1-3H3,(H,21,22,23)
InChIKeyZMINOWPHTHKWMP-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.11
Rot. Bonds6

About methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate

methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate (PubChem CID 67095104) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
PubChem CID67095104
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Namemethyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC)cc2C)nc(NCc2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O4/c1-11-9-12(25-2)6-7-14(11)17-22-16(19(24)26-3)15(20)18(23-17)21-10-13-5-4-8-27-13/h4-9H,10H2,1-3H3,(H,21,22,23)
InChIKeyZMINOWPHTHKWMP-UHFFFAOYSA-N
XLogP4.11
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-chloro-2-[4-chloro-2-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220608
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
methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 67094420
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-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
benzyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-ethenyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 67496252
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
methyl 5-chloro-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-6-[(3-methyl-2-pyridinyl)methylamino]pyrimidine-4-carboxylate
CID 67495906

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate (CID 67095104) is methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(OC)cc2C)nc(NCc2ccco2)c1Cl.
What is the InChIKey of methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate?
The InChIKey is ZMINOWPHTHKWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-11-9-12(25-2)6-7-14(11)17-22-16(19(24)26-3)15(20)18(23-17)21-10-13-5-4-8-27-13/h4-9H,10H2,1-3H3,(H,21,22,23).
What are the key properties of methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate?
methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate has a molecular weight of 387.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 67095104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).