4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

C15H20N6S — CID 50982135

IUPAC4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NC(C)c2cn3ccsc3n2)c1C
InChIInChI=1S/C15H20N6S/c1-9-10(2)17-14(20(4)5)19-13(9)16-11(3)12-8-21-6-7-22-15(21)18-12/h6-8,11H,1-5H3,(H,16,17,19)
InChIKeyXCVFQZUEBJKKEP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.04
Rot. Bonds4

About 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (PubChem CID 50982135) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
PubChem CID50982135
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NC(C)c2cn3ccsc3n2)c1C
InChIInChI=1S/C15H20N6S/c1-9-10(2)17-14(20(4)5)19-13(9)16-11(3)12-8-21-6-7-22-15(21)18-12/h6-8,11H,1-5H3,(H,16,17,19)
InChIKeyXCVFQZUEBJKKEP-UHFFFAOYSA-N
XLogP3.04
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (CID 50982135) is 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NC(C)c2cn3ccsc3n2)c1C.
What is the InChIKey of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The InChIKey is XCVFQZUEBJKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-9-10(2)17-14(20(4)5)19-13(9)16-11(3)12-8-21-6-7-22-15(21)18-12/h6-8,11H,1-5H3,(H,16,17,19).
What are the key properties of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine has a molecular weight of 316.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50982135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).