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

C16H23N5O2 — CID 662721

IUPACethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC
InChIInChI=1S/C16H23N5O2/c1-6-20(7-2)14-13(15(22)23-8-3)10-17-16(18-14)21-12(5)9-11(4)19-21/h9-10H,6-8H2,1-5H3
InChIKeyDCLQTFNCZUBZIT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.30
Rot. Bonds6

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

ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (PubChem CID 662721) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
PubChem CID662721
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nameethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC
InChIInChI=1S/C16H23N5O2/c1-6-20(7-2)14-13(15(22)23-8-3)10-17-16(18-14)21-12(5)9-11(4)19-21/h9-10H,6-8H2,1-5H3
InChIKeyDCLQTFNCZUBZIT-UHFFFAOYSA-N
XLogP2.30
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-(cyclopentylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 931812
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]pyrimidine-5-carboxylate
CID 1980481
4-(Cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 662276
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 663171
Ethyl 4-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 663249
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
2-(3,5-Dimethylpyrazol-1-yl)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
CID 936962
2-(3,5-Dimethylpyrazol-1-yl)-9-(2-hydroxyethyl)-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
CID 938485
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-hydroxyethyl)amino)pyrimidine-5-carboxylate
CID 2048125
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 662981
ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carboxylate
CID 692270

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (CID 662721) is ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC.
What is the InChIKey of ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The InChIKey is DCLQTFNCZUBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-6-20(7-2)14-13(15(22)23-8-3)10-17-16(18-14)21-12(5)9-11(4)19-21/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 662721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).