ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate

C16H21N5O3 — CID 662981

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1
InChIInChI=1S/C16H21N5O3/c1-4-24-15(22)13-10-17-16(21-12(3)9-11(2)19-21)18-14(13)20-5-7-23-8-6-20/h9-10H,4-8H2,1-3H3
InChIKeyFRRWFMKLNVJHMR-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 662981) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID662981
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1
InChIInChI=1S/C16H21N5O3/c1-4-24-15(22)13-10-17-16(21-12(3)9-11(2)19-21)18-14(13)20-5-7-23-8-6-20/h9-10H,4-8H2,1-3H3
InChIKeyFRRWFMKLNVJHMR-UHFFFAOYSA-N
XLogP1.29
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
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
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((2-hydroxyethyl)amino)pyrimidine-5-carboxylate
CID 2048125
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-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate (CID 662981) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is FRRWFMKLNVJHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-24-15(22)13-10-17-16(21-12(3)9-11(2)19-21)18-14(13)20-5-7-23-8-6-20/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 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-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 662981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).