ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate

C16H22N6O3 — CID 166202903

IUPACethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCc3nc(COC)nn3C2)nc1C
InChIInChI=1S/C16H22N6O3/c1-4-25-15(23)12-7-17-16(18-10(12)2)19-11-5-6-14-20-13(9-24-3)21-22(14)8-11/h7,11H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyCTBBTEYIFKXYIE-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.13
Rot. Bonds6

About ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate (PubChem CID 166202903) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
PubChem CID166202903
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Nameethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCc3nc(COC)nn3C2)nc1C
InChIInChI=1S/C16H22N6O3/c1-4-25-15(23)12-7-17-16(18-10(12)2)19-11-5-6-14-20-13(9-24-3)21-22(14)8-11/h7,11H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyCTBBTEYIFKXYIE-UHFFFAOYSA-N
XLogP1.13
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea
CID 84597119
ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
CID 83178883
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
methyl 6-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazine-3-carboxylate
CID 133281658
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate (CID 166202903) is ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CCc3nc(COC)nn3C2)nc1C.
What is the InChIKey of ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is CTBBTEYIFKXYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-4-25-15(23)12-7-17-16(18-10(12)2)19-11-5-6-14-20-13(9-24-3)21-22(14)8-11/h7,11H,4-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 166202903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).