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

C14H19N5O3 — CID 2048125

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCO
InChIInChI=1S/C14H19N5O3/c1-4-22-13(21)11-8-16-14(17-12(11)15-5-6-20)19-10(3)7-9(2)18-19/h7-8,20H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyYEWDDWUABJHLIK-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.86
Rot. Bonds6

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

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate (PubChem CID 2048125) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate
PubChem CID2048125
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCO
InChIInChI=1S/C14H19N5O3/c1-4-22-13(21)11-8-16-14(17-12(11)15-5-6-20)19-10(3)7-9(2)18-19/h7-8,20H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyYEWDDWUABJHLIK-UHFFFAOYSA-N
XLogP0.86
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662721
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
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate
CID 663107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate (CID 2048125) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCO.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate?
The InChIKey is YEWDDWUABJHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-22-13(21)11-8-16-14(17-12(11)15-5-6-20)19-10(3)7-9(2)18-19/h7-8,20H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(2-hydroxyethylamino)pyrimidine-5-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 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-hydroxyethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 2048125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).