methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate

C16H18BrN3O2 — CID 18323706

IUPACmethyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate
SMILESCCCc1ccc(Nc2nc(C)cc(C(=O)OC)n2)c(Br)c1
InChIInChI=1S/C16H18BrN3O2/c1-4-5-11-6-7-13(12(17)9-11)19-16-18-10(2)8-14(20-16)15(21)22-3/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQAWJSYHZRAYHKL-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.03
Rot. Bonds5

About methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate

methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate (PubChem CID 18323706) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate
PubChem CID18323706
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Namemethyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate
SMILESCCCc1ccc(Nc2nc(C)cc(C(=O)OC)n2)c(Br)c1
InChIInChI=1S/C16H18BrN3O2/c1-4-5-11-6-7-13(12(17)9-11)19-16-18-10(2)8-14(20-16)15(21)22-3/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyQAWJSYHZRAYHKL-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259
methyl 6-methyl-2-propylsulfanylpyrimidine-4-carboxylate
CID 144808196
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
methyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109328805
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate (CID 18323706) is methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate is CCCc1ccc(Nc2nc(C)cc(C(=O)OC)n2)c(Br)c1.
What is the InChIKey of methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate?
The InChIKey is QAWJSYHZRAYHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-4-5-11-6-7-13(12(17)9-11)19-16-18-10(2)8-14(20-16)15(21)22-3/h6-9H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate?
methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate has a molecular weight of 364.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-4-propylanilino)-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 18323706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).