methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate

C14H15N3O2 — CID 114214335

IUPACmethyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N(C)c1ccccc1C
InChIInChI=1S/C14H15N3O2/c1-10-6-4-5-7-12(10)17(2)13-11(14(18)19-3)8-15-9-16-13/h4-9H,1-3H3
InChIKeyJLGDRERRHOHXCY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate

methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate (PubChem CID 114214335) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate
PubChem CID114214335
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N(C)c1ccccc1C
InChIInChI=1S/C14H15N3O2/c1-10-6-4-5-7-12(10)17(2)13-11(14(18)19-3)8-15-9-16-13/h4-9H,1-3H3
InChIKeyJLGDRERRHOHXCY-UHFFFAOYSA-N
XLogP2.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5,6-diaminopyrimidin-4-yl)-methylamino]benzoate
CID 19137217
methyl 2-[[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-methylamino]benzoate
CID 19144691
methyl 2-[[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]-methylamino]benzoate
CID 19143246
4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
CID 115148967
methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
methyl 4-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidine-5-carboxylate
CID 114214244
methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306884
methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 114213821
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 2-[(6-chloro-5-nitropyrimidin-4-yl)-methylamino]benzoate
CID 23477417
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrimidine-5-carboxylate
CID 114214746
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate (CID 114214335) is methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate is COC(=O)c1cncnc1N(C)c1ccccc1C.
What is the InChIKey of methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate?
The InChIKey is JLGDRERRHOHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-6-4-5-7-12(10)17(2)13-11(14(18)19-3)8-15-9-16-13/h4-9H,1-3H3.
What are the key properties of methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate?
methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate is sourced from PubChem (CID 114214335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).