ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate

C20H26N4O3 — CID 109333628

IUPACethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2C(=O)OCC)n1
InChIInChI=1S/C20H26N4O3/c1-5-7-12-24(4)20-21-14(3)13-17(23-20)18(25)22-16-11-9-8-10-15(16)19(26)27-6-2/h8-11,13H,5-7,12H2,1-4H3,(H,22,25)
InChIKeyUSWXRGOBZJFFFD-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.45
Rot. Bonds8

About ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate

ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109333628) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
PubChem CID109333628
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2C(=O)OCC)n1
InChIInChI=1S/C20H26N4O3/c1-5-7-12-24(4)20-21-14(3)13-17(23-20)18(25)22-16-11-9-8-10-15(16)19(26)27-6-2/h8-11,13H,5-7,12H2,1-4H3,(H,22,25)
InChIKeyUSWXRGOBZJFFFD-UHFFFAOYSA-N
XLogP3.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[6-methyl-2-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109319049
ethyl 2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109325848
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
ethyl 2-[[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109334961
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109126207
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate (CID 109333628) is ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate is CCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is USWXRGOBZJFFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-7-12-24(4)20-21-14(3)13-17(23-20)18(25)22-16-11-9-8-10-15(16)19(26)27-6-2/h8-11,13H,5-7,12H2,1-4H3,(H,22,25).
What are the key properties of ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).