ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate

C15H21N5O3 — CID 3785339

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1OCCNC
InChIInChI=1S/C15H21N5O3/c1-5-22-14(21)12-9-17-15(18-13(12)23-7-6-16-4)20-11(3)8-10(2)19-20/h8-9,16H,5-7H2,1-4H3
InChIKeyRPMFPWXUVRRVME-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.05
Rot. Bonds7

About ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate (PubChem CID 3785339) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate
PubChem CID3785339
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1OCCNC
InChIInChI=1S/C15H21N5O3/c1-5-22-14(21)12-9-17-15(18-13(12)23-7-6-16-4)20-11(3)8-10(2)19-20/h8-9,16H,5-7H2,1-4H3
InChIKeyRPMFPWXUVRRVME-UHFFFAOYSA-N
XLogP1.05
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-methylanilino)pyrimidine-5-carboxylate
CID 3839472
ethyl 4-[2-[(2,4-dichlorophenyl)carbamoyl]anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 3797533
2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 79015205
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189794
ethyl 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylate
CID 39355013
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 937353
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate (CID 3785339) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1OCCNC.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate?
The InChIKey is RPMFPWXUVRRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-5-22-14(21)12-9-17-15(18-13(12)23-7-6-16-4)20-11(3)8-10(2)19-20/h8-9,16H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 1.05, 7 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-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate is sourced from PubChem (CID 3785339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).