methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate

C19H18ClN3O3 — CID 140564385

IUPACmethyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(C)c2)nc(N(C)c2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O3/c1-11-7-8-13(10-12(11)2)17-21-16(19(24)25-4)15(20)18(22-17)23(3)14-6-5-9-26-14/h5-10H,1-4H3
InChIKeyLRLJLQIKGVFUAX-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.56
Rot. Bonds4

About methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate

methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate (PubChem CID 140564385) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
PubChem CID140564385
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Namemethyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)c(C)c2)nc(N(C)c2ccco2)c1Cl
InChIInChI=1S/C19H18ClN3O3/c1-11-7-8-13(10-12(11)2)17-21-16(19(24)25-4)15(20)18(22-17)23(3)14-6-5-9-26-14/h5-10H,1-4H3
InChIKeyLRLJLQIKGVFUAX-UHFFFAOYSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-2-(3-chloro-4-methylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
CID 140564390
methyl 5-chloro-6-[furan-2-yl(methyl)amino]-2-(4-methyl-3-nitrophenyl)pyrimidine-4-carboxylate
CID 67094489
methyl 5-chloro-2-[(4-chloro-2-fluoro-3-methoxyphenyl)methyl]-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate
CID 174647272
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 67094420
methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxylate
CID 67095104
methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate
CID 67087275
methyl 5-(3,4-dimethylphenyl)-2H-triazole-4-carboxylate
CID 121003420
dimethyl 2,5-bis(4-methoxycarbonylphenyl)pyrimidine-4,6-dicarboxylate
CID 122204693
methyl 3-chloro-6-(4-methylphenyl)-4-pyrrol-1-ylpyridine-2-carboxylate
CID 91249644
methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
CID 2241755
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate (CID 140564385) is methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(C)c(C)c2)nc(N(C)c2ccco2)c1Cl.
What is the InChIKey of methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate?
The InChIKey is LRLJLQIKGVFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-7-8-13(10-12(11)2)17-21-16(19(24)25-4)15(20)18(22-17)23(3)14-6-5-9-26-14/h5-10H,1-4H3.
What are the key properties of methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(3,4-dimethylphenyl)-6-[furan-2-yl(methyl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 140564385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).