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

C11H16N6S — CID 72853929

IUPAC4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1nnc(CNc2nc(N)nc(C)c2C)s1
InChIInChI=1S/C11H16N6S/c1-4-8-16-17-9(18-8)5-13-10-6(2)7(3)14-11(12)15-10/h4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyWDTWWXPGCPPGCY-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.70
Rot. Bonds4

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

4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 72853929) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID72853929
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCc1nnc(CNc2nc(N)nc(C)c2C)s1
InChIInChI=1S/C11H16N6S/c1-4-8-16-17-9(18-8)5-13-10-6(2)7(3)14-11(12)15-10/h4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyWDTWWXPGCPPGCY-UHFFFAOYSA-N
XLogP1.70
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine (CID 72853929) is 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine is CCc1nnc(CNc2nc(N)nc(C)c2C)s1.
What is the InChIKey of 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is WDTWWXPGCPPGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-4-8-16-17-9(18-8)5-13-10-6(2)7(3)14-11(12)15-10/h4-5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72853929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).