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

C8H14N4O2S — CID 80791666

IUPAC2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-11-7(9)5-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyXRVWRPJCQQDLRM-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.18
Rot. Bonds4

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

2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (PubChem CID 80791666) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
PubChem CID80791666
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-6-11-7(9)5-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyXRVWRPJCQQDLRM-UHFFFAOYSA-N
XLogP-0.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
2-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846493
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (CID 80791666) is 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The InChIKey is XRVWRPJCQQDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-11-7(9)5-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine has a molecular weight of 230.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80791666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).