4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

C8H14N4O2S — CID 78930007

IUPAC4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(N)ncn1
InChIInChI=1S/C8H14N4O2S/c1-12(3-4-15(2,13)14)8-5-7(9)10-6-11-8/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyHIYFMIVUOAHNLP-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.46
Rot. Bonds4

About 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (PubChem CID 78930007) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
PubChem CID78930007
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(N)ncn1
InChIInChI=1S/C8H14N4O2S/c1-12(3-4-15(2,13)14)8-5-7(9)10-6-11-8/h5-6H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyHIYFMIVUOAHNLP-UHFFFAOYSA-N
XLogP-0.46
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (CID 78930007) is 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is CN(CCS(C)(=O)=O)c1cc(N)ncn1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The InChIKey is HIYFMIVUOAHNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12(3-4-15(2,13)14)8-5-7(9)10-6-11-8/h5-6H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine has a molecular weight of 230.29 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 78930007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).