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

C13H17N5O2 — CID 663107

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC
InChIInChI=1S/C13H17N5O2/c1-5-20-12(19)10-7-15-13(16-11(10)14-4)18-9(3)6-8(2)17-18/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyNTCQSXAUZFGYTL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.50
Rot. Bonds4

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

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate (PubChem CID 663107) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate
PubChem CID663107
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC
InChIInChI=1S/C13H17N5O2/c1-5-20-12(19)10-7-15-13(16-11(10)14-4)18-9(3)6-8(2)17-18/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyNTCQSXAUZFGYTL-UHFFFAOYSA-N
XLogP1.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
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
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 4-(benzylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662954
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 662981

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate (CID 663107) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is NTCQSXAUZFGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-5-20-12(19)10-7-15-13(16-11(10)14-4)18-9(3)6-8(2)17-18/h6-7H,5H2,1-4H3,(H,14,15,16).
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 663107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).