ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate

C14H20N6O2 — CID 167984272

IUPACethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1NCCc1cn(C)nn1
InChIInChI=1S/C14H20N6O2/c1-4-12-16-8-11(14(21)22-5-2)13(17-12)15-7-6-10-9-20(3)19-18-10/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyVJQVJZPNCDBSRP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.00
Rot. Bonds7

About ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate

ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate (PubChem CID 167984272) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate
PubChem CID167984272
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nameethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC)nc1NCCc1cn(C)nn1
InChIInChI=1S/C14H20N6O2/c1-4-12-16-8-11(14(21)22-5-2)13(17-12)15-7-6-10-9-20(3)19-18-10/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyVJQVJZPNCDBSRP-UHFFFAOYSA-N
XLogP1.00
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(butylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 10563922
ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 80688609
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 54183376
ethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 3833880
ethyl 3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoate
CID 106106238
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
3-[3-[[5-ethoxycarbonyl-2-(2-phenylethyl)pyrimidin-4-yl]amino]propylcarbamothioylamino]propanoic acid
CID 164613845
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 9151289
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate (CID 167984272) is ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC)nc1NCCc1cn(C)nn1.
What is the InChIKey of ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is VJQVJZPNCDBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-4-12-16-8-11(14(21)22-5-2)13(17-12)15-7-6-10-9-20(3)19-18-10/h8-9H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate?
ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-[2-(1-methyltriazol-4-yl)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 167984272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).