ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate

C14H20N6O2S — CID 59864723

IUPACethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6O2S/c1-6-22-12(21)11-10(18-13(15)23-11)8-7-9(19(2)3)17-14(16-8)20(4)5/h7H,6H2,1-5H3,(H2,15,18)
InChIKeyJKLAYQMJBJNPRF-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59864723) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID59864723
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Nameethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6O2S/c1-6-22-12(21)11-10(18-13(15)23-11)8-7-9(19(2)3)17-14(16-8)20(4)5/h7H,6H2,1-5H3,(H2,15,18)
InChIKeyJKLAYQMJBJNPRF-UHFFFAOYSA-N
XLogP1.49
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
ethyl 2-chloro-4-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864652
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
CID 59864685
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457
ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate
CID 59864641
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
CID 28815592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate (CID 59864723) is ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1cc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is JKLAYQMJBJNPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-6-22-12(21)11-10(18-13(15)23-11)8-7-9(19(2)3)17-14(16-8)20(4)5/h7H,6H2,1-5H3,(H2,15,18).
What are the key properties of ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[2,6-bis(dimethylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).