4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine

C9H15N3O4S — CID 164907958

IUPAC4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCS(C)(=O)=O
InChIInChI=1S/C9H15N3O4S/c1-15-7-6(4-5-17(3,13)14)8(16-2)12-9(10)11-7/h4-5H2,1-3H3,(H2,10,11,12)
InChIKeyFUKGCVODMGYWPA-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.34
Rot. Bonds5

About 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine

4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine (PubChem CID 164907958) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine
PubChem CID164907958
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CCS(C)(=O)=O
InChIInChI=1S/C9H15N3O4S/c1-15-7-6(4-5-17(3,13)14)8(16-2)12-9(10)11-7/h4-5H2,1-3H3,(H2,10,11,12)
InChIKeyFUKGCVODMGYWPA-UHFFFAOYSA-N
XLogP-0.34
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
CID 164908424
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
CID 105450108
4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 175471206
CID 88687788
CID 88687788
2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
CID 11644056
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
5-(aminomethyl)-4-cyclobutyl-6-methoxypyrimidin-2-amine
CID 105461912
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
2-amino-4-methoxy-6-methylpyrimidine-5-selenol
CID 154295666
O-ethyl 2-amino-6-methoxy-5-(sulfanylmethyl)pyrimidine-4-carbothioate
CID 57196062
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 175471466

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine (CID 164907958) is 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine is COc1nc(N)nc(OC)c1CCS(C)(=O)=O.
What is the InChIKey of 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine?
The InChIKey is FUKGCVODMGYWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-15-7-6(4-5-17(3,13)14)8(16-2)12-9(10)11-7/h4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine?
4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine has a molecular weight of 261.30 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine is sourced from PubChem (CID 164907958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).