6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

C13H24N4OS — CID 80841763

IUPAC6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(COC)C(C)C)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-14-11-7-12(17-13(16-11)19-5)15-10(8-18-4)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWDOKLEUGRAFUME-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.71
Rot. Bonds8

About 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80841763) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80841763
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(COC)C(C)C)nc(SC)n1
InChIInChI=1S/C13H24N4OS/c1-6-14-11-7-12(17-13(16-11)19-5)15-10(8-18-4)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWDOKLEUGRAFUME-UHFFFAOYSA-N
XLogP2.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80841763) is 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NC(COC)C(C)C)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is WDOKLEUGRAFUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-14-11-7-12(17-13(16-11)19-5)15-10(8-18-4)9(2)3/h7,9-10H,6,8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).