ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate

C19H21N5O3 — CID 3771443

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C19H21N5O3/c1-5-27-18(25)16-11-20-19(24-13(3)10-12(2)23-24)22-17(16)21-14-6-8-15(26-4)9-7-14/h6-11H,5H2,1-4H3,(H,20,21,22)
InChIKeyYDLSIOHGPTUGGM-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.21
Rot. Bonds6

About ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate (PubChem CID 3771443) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate
PubChem CID3771443
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(OC)cc1
InChIInChI=1S/C19H21N5O3/c1-5-27-18(25)16-11-20-19(24-13(3)10-12(2)23-24)22-17(16)21-14-6-8-15(26-4)9-7-14/h6-11H,5H2,1-4H3,(H,20,21,22)
InChIKeyYDLSIOHGPTUGGM-UHFFFAOYSA-N
XLogP3.21
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate (CID 3771443) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate?
The InChIKey is YDLSIOHGPTUGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-27-18(25)16-11-20-19(24-13(3)10-12(2)23-24)22-17(16)21-14-6-8-15(26-4)9-7-14/h6-11H,5H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate is sourced from PubChem (CID 3771443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).