6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine

C11H20N4OS — CID 112656996

IUPAC6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine
SMILESCCC(CSC)N(C)c1ncnc(OC)c1N
InChIInChI=1S/C11H20N4OS/c1-5-8(6-17-4)15(2)10-9(12)11(16-3)14-7-13-10/h7-8H,5-6,12H2,1-4H3
InChIKeyVLDQIMNHLGOSKY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.65
Rot. Bonds6

About 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine

6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine (PubChem CID 112656996) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine
PubChem CID112656996
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine
SMILESCCC(CSC)N(C)c1ncnc(OC)c1N
InChIInChI=1S/C11H20N4OS/c1-5-8(6-17-4)15(2)10-9(12)11(16-3)14-7-13-10/h7-8H,5-6,12H2,1-4H3
InChIKeyVLDQIMNHLGOSKY-UHFFFAOYSA-N
XLogP1.65
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine (CID 112656996) is 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine is CCC(CSC)N(C)c1ncnc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is VLDQIMNHLGOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-8(6-17-4)15(2)10-9(12)11(16-3)14-7-13-10/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine?
6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 112656996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).