ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

C19H18N6O3 — CID 108775340

IUPACethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1c(C#N)cnn1C
InChIInChI=1S/C19H18N6O3/c1-4-28-19(26)15-11-21-16(12-5-7-14(27-3)8-6-12)23-17(15)24-18-13(9-20)10-22-25(18)2/h5-8,10-11H,4H2,1-3H3,(H,21,23,24)
InChIKeyRZFONYZOVQNPNX-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.68
Rot. Bonds6

About ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate (PubChem CID 108775340) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
PubChem CID108775340
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Nameethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1c(C#N)cnn1C
InChIInChI=1S/C19H18N6O3/c1-4-28-19(26)15-11-21-16(12-5-7-14(27-3)8-6-12)23-17(15)24-18-13(9-20)10-22-25(18)2/h5-8,10-11H,4H2,1-3H3,(H,21,23,24)
InChIKeyRZFONYZOVQNPNX-UHFFFAOYSA-N
XLogP2.68
TPSA114.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 108775876
ethyl 2-(4-methoxyphenyl)-4-[[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772302
ethyl 3-[(4-cyano-1-methylpyrazol-5-yl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 108775301
ethyl 2-(4-methoxyphenyl)-4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108778425
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387
N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide
CID 112723818
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 2-(4-methoxyphenyl)-4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108773563
ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979552
ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 110451725
ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate (CID 108775340) is ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1Nc1c(C#N)cnn1C.
What is the InChIKey of ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate?
The InChIKey is RZFONYZOVQNPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-4-28-19(26)15-11-21-16(12-5-7-14(27-3)8-6-12)23-17(15)24-18-13(9-20)10-22-25(18)2/h5-8,10-11H,4H2,1-3H3,(H,21,23,24).
What are the key properties of ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate?
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate has a molecular weight of 378.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 108775340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).