6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

C12H22N4O2S — CID 80850318

IUPAC6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCS(C)(=O)=O)c1CC
InChIInChI=1S/C12H22N4O2S/c1-5-10-11(13-6-2)14-9-15-12(10)16(3)7-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyCBHHBRWTYYDMMV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.95
Rot. Bonds7

About 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (PubChem CID 80850318) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
PubChem CID80850318
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCS(C)(=O)=O)c1CC
InChIInChI=1S/C12H22N4O2S/c1-5-10-11(13-6-2)14-9-15-12(10)16(3)7-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyCBHHBRWTYYDMMV-UHFFFAOYSA-N
XLogP0.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
4-N,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80850244
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779733
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (CID 80850318) is 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is CCNc1ncnc(N(C)CCS(C)(=O)=O)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The InChIKey is CBHHBRWTYYDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-10-11(13-6-2)14-9-15-12(10)16(3)7-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine has a molecular weight of 286.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).