2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine

C11H20N4O2S — CID 132969306

IUPAC2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(CCS(C)(=O)=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C11H20N4O2S/c1-9(6-8-18(4,16)17)13-10-5-7-12-11(14-10)15(2)3/h5,7,9H,6,8H2,1-4H3,(H,12,13,14)
InChIKeyVGDSRSLXQPNHIZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.78
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 132969306) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID132969306
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(CCS(C)(=O)=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C11H20N4O2S/c1-9(6-8-18(4,16)17)13-10-5-7-12-11(14-10)15(2)3/h5,7,9H,6,8H2,1-4H3,(H,12,13,14)
InChIKeyVGDSRSLXQPNHIZ-UHFFFAOYSA-N
XLogP0.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine (CID 132969306) is 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine is CC(CCS(C)(=O)=O)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is VGDSRSLXQPNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(6-8-18(4,16)17)13-10-5-7-12-11(14-10)15(2)3/h5,7,9H,6,8H2,1-4H3,(H,12,13,14).
What are the key properties of 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 272.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 132969306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).