5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine

C10H11N3O3S — CID 2820062

IUPAC5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)Cc2ccco2)c(N)n1
InChIInChI=1S/C10H11N3O3S/c1-7-12-5-9(10(11)13-7)17(14,15)6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyVAPXLBJAZFSJAN-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.93
Rot. Bonds3

About 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine

5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine (PubChem CID 2820062) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine
PubChem CID2820062
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)Cc2ccco2)c(N)n1
InChIInChI=1S/C10H11N3O3S/c1-7-12-5-9(10(11)13-7)17(14,15)6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyVAPXLBJAZFSJAN-UHFFFAOYSA-N
XLogP0.93
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine (CID 2820062) is 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine is Cc1ncc(S(=O)(=O)Cc2ccco2)c(N)n1.
What is the InChIKey of 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine?
The InChIKey is VAPXLBJAZFSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-12-5-9(10(11)13-7)17(14,15)6-8-3-2-4-16-8/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine?
5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine has a molecular weight of 253.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfonyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 2820062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).