4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

C12H19N7S — CID 50948912

IUPAC4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2nnc(N)s2)c1C
InChIInChI=1S/C12H19N7S/c1-7-8(2)15-12(19(3)4)16-10(7)14-6-5-9-17-18-11(13)20-9/h5-6H2,1-4H3,(H2,13,18)(H,14,15,16)
InChIKeyAZZKFQUCNJZXIR-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.25
Rot. Bonds5

About 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (PubChem CID 50948912) has the molecular formula C12H19N7S and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
PubChem CID50948912
Molecular FormulaC12H19N7S
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC Name4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2nnc(N)s2)c1C
InChIInChI=1S/C12H19N7S/c1-7-8(2)15-12(19(3)4)16-10(7)14-6-5-9-17-18-11(13)20-9/h5-6H2,1-4H3,(H2,13,18)(H,14,15,16)
InChIKeyAZZKFQUCNJZXIR-UHFFFAOYSA-N
XLogP1.25
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (CID 50948912) is 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCCc2nnc(N)s2)c1C.
What is the InChIKey of 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The InChIKey is AZZKFQUCNJZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7S/c1-7-8(2)15-12(19(3)4)16-10(7)14-6-5-9-17-18-11(13)20-9/h5-6H2,1-4H3,(H2,13,18)(H,14,15,16).
What are the key properties of 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50948912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).