6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

C11H19N3O3S — CID 66325292

IUPAC6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)CS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H19N3O3S/c1-5-17-11-6-10(13-9(3)14-11)12-8(2)7-18(4,15)16/h6,8H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyMIERODIDOHPLON-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.03
Rot. Bonds6

About 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (PubChem CID 66325292) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
PubChem CID66325292
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)CS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H19N3O3S/c1-5-17-11-6-10(13-9(3)14-11)12-8(2)7-18(4,15)16/h6,8H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyMIERODIDOHPLON-UHFFFAOYSA-N
XLogP1.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
N-(1-chlorobutan-2-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66331918
methyl 4-methyl-6-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286088
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (CID 66325292) is 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is CCOc1cc(NC(C)CS(C)(=O)=O)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is MIERODIDOHPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-5-17-11-6-10(13-9(3)14-11)12-8(2)7-18(4,15)16/h6,8H,5,7H2,1-4H3,(H,12,13,14).
What are the key properties of 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66325292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).