6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine

C12H22N4OS — CID 113490924

IUPAC6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC(C)S(C)=O)c1C
InChIInChI=1S/C12H22N4OS/c1-8(18(5)17)6-7-14-12-9(2)11(13-4)15-10(3)16-12/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyJJQODFNDMLHPOE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.70
Rot. Bonds6

About 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine (PubChem CID 113490924) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
PubChem CID113490924
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCC(C)S(C)=O)c1C
InChIInChI=1S/C12H22N4OS/c1-8(18(5)17)6-7-14-12-9(2)11(13-4)15-10(3)16-12/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyJJQODFNDMLHPOE-UHFFFAOYSA-N
XLogP1.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine (CID 113490924) is 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCC(C)S(C)=O)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine?
The InChIKey is JJQODFNDMLHPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(18(5)17)6-7-14-12-9(2)11(13-4)15-10(3)16-12/h8H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113490924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).