6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine

C10H18N4O2S — CID 80843830

IUPAC6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)CS(C)(=O)=O)c1C
InChIInChI=1S/C10H18N4O2S/c1-7(5-17(4,15)16)14-10-8(2)9(11-3)12-6-13-10/h6-7H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyOTSZISDZDDEEJB-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.67
Rot. Bonds5

About 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80843830) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80843830
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(C)CS(C)(=O)=O)c1C
InChIInChI=1S/C10H18N4O2S/c1-7(5-17(4,15)16)14-10-8(2)9(11-3)12-6-13-10/h6-7H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyOTSZISDZDDEEJB-UHFFFAOYSA-N
XLogP0.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine (CID 80843830) is 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine is CNc1ncnc(NC(C)CS(C)(=O)=O)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OTSZISDZDDEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7(5-17(4,15)16)14-10-8(2)9(11-3)12-6-13-10/h6-7H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80843830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).