ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate

C15H19N5O4 — CID 108775876

IUPACethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1Nc1c(C(=O)OCC)cnn1C
InChIInChI=1S/C15H19N5O4/c1-5-23-14(21)10-7-16-9(3)18-12(10)19-13-11(8-17-20(13)4)15(22)24-6-2/h7-8H,5-6H2,1-4H3,(H,16,18,19)
InChIKeyPUFQPAXKXJWPFU-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.62
Rot. Bonds6

About ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate

ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate (PubChem CID 108775876) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
PubChem CID108775876
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Nameethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1Nc1c(C(=O)OCC)cnn1C
InChIInChI=1S/C15H19N5O4/c1-5-23-14(21)10-7-16-9(3)18-12(10)19-13-11(8-17-20(13)4)15(22)24-6-2/h7-8H,5-6H2,1-4H3,(H,16,18,19)
InChIKeyPUFQPAXKXJWPFU-UHFFFAOYSA-N
XLogP1.62
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carboxylate
CID 108775899
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
CID 118685052
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 108775340
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
3-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811391
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 110492422
ethyl 2-methyl-4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pyrimidine-5-carboxylate
CID 108775541

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate (CID 108775876) is ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1Nc1c(C(=O)OCC)cnn1C.
What is the InChIKey of ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is PUFQPAXKXJWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-5-23-14(21)10-7-16-9(3)18-12(10)19-13-11(8-17-20(13)4)15(22)24-6-2/h7-8H,5-6H2,1-4H3,(H,16,18,19).
What are the key properties of ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate?
ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 108775876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).