ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate

C10H10ClN5O3 — CID 154720037

IUPACethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Nc2cc(Cl)nc(C)n2)o1
InChIInChI=1S/C10H10ClN5O3/c1-3-18-9(17)8-15-16-10(19-8)14-7-4-6(11)12-5(2)13-7/h4H,3H2,1-2H3,(H,12,13,14,16)
InChIKeyQZLGJISTPJWEGN-UHFFFAOYSA-N
MW283.68 g/mol
LogP1.74
Rot. Bonds4

About ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 154720037) has the molecular formula C10H10ClN5O3 and a molecular weight of 283.68 g/mol. Its IUPAC name is ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate
PubChem CID154720037
Molecular FormulaC10H10ClN5O3
Molecular Weight283.68 g/mol
Exact Mass283.05
IUPAC Nameethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Nc2cc(Cl)nc(C)n2)o1
InChIInChI=1S/C10H10ClN5O3/c1-3-18-9(17)8-15-16-10(19-8)14-7-4-6(11)12-5(2)13-7/h4H,3H2,1-2H3,(H,12,13,14,16)
InChIKeyQZLGJISTPJWEGN-UHFFFAOYSA-N
XLogP1.74
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carboxylate
CID 108775899
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108777355
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 97073917
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
ethyl 4-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877726
ethyl 5-[(2,6-dichloropyrimidin-4-yl)amino]-1-benzoselenophene-2-carboxylate
CID 142737007

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate (CID 154720037) is ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(Nc2cc(Cl)nc(C)n2)o1.
What is the InChIKey of ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is QZLGJISTPJWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3/c1-3-18-9(17)8-15-16-10(19-8)14-7-4-6(11)12-5(2)13-7/h4H,3H2,1-2H3,(H,12,13,14,16).
What are the key properties of ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 283.68 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 154720037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).