ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate

C15H17N7O2 — CID 166323423

IUPACethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CCNc2ccnc3nc(C)nn23)n1
InChIInChI=1S/C15H17N7O2/c1-3-24-14(23)11-4-7-16-12(20-11)5-8-17-13-6-9-18-15-19-10(2)21-22(13)15/h4,6-7,9,17H,3,5,8H2,1-2H3
InChIKeyBMFFVNBIHVIDMO-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.05
Rot. Bonds6

About ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate

ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate (PubChem CID 166323423) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate
PubChem CID166323423
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Nameethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(CCNc2ccnc3nc(C)nn23)n1
InChIInChI=1S/C15H17N7O2/c1-3-24-14(23)11-4-7-16-12(20-11)5-8-17-13-6-9-18-15-19-10(2)21-22(13)15/h4,6-7,9,17H,3,5,8H2,1-2H3
InChIKeyBMFFVNBIHVIDMO-UHFFFAOYSA-N
XLogP1.05
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
ethyl imidazo[1,2-a]pyrimidine-7-carboxylate
CID 51358225
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216
ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
CID 118564360
ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103318377
ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
CID 146771474
ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 80688609
ethyl 2-(2-pyridin-4-ylethylamino)-1,3-oxazole-4-carboxylate
CID 113377147
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
ethyl 5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 80684480
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate (CID 166323423) is ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate is CCOC(=O)c1ccnc(CCNc2ccnc3nc(C)nn23)n1.
What is the InChIKey of ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate?
The InChIKey is BMFFVNBIHVIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-3-24-14(23)11-4-7-16-12(20-11)5-8-17-13-6-9-18-15-19-10(2)21-22(13)15/h4,6-7,9,17H,3,5,8H2,1-2H3.
What are the key properties of ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate?
ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate has a molecular weight of 327.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 166323423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).