ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate

C21H20N6O2 — CID 108778727

IUPACethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H20N6O2/c1-4-29-21(28)16-12-22-14(3)23-20(16)25-19-11-13(2)26-27(19)18-10-9-15-7-5-6-8-17(15)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
InChIKeyACTINAJMPNMNFC-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate

ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate (PubChem CID 108778727) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
PubChem CID108778727
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Nameethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H20N6O2/c1-4-29-21(28)16-12-22-14(3)23-20(16)25-19-11-13(2)26-27(19)18-10-9-15-7-5-6-8-17(15)24-18/h5-12H,4H2,1-3H3,(H,22,23,25)
InChIKeyACTINAJMPNMNFC-UHFFFAOYSA-N
XLogP3.75
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-methylanilino)pyrimidine-5-carboxylate
CID 3839472
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768806
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 108778770
ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 108775876
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate (CID 108778727) is ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1Nc1cc(C)nn1-c1ccc2ccccc2n1.
What is the InChIKey of ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate?
The InChIKey is ACTINAJMPNMNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-4-29-21(28)16-12-22-14(3)23-20(16)25-19-11-13(2)26-27(19)18-10-9-15-7-5-6-8-17(15)24-18/h5-12H,4H2,1-3H3,(H,22,23,25).
What are the key properties of ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate?
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 108778727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).