2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine

C11H13N5O3S — CID 121224759

IUPAC2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine
SMILESCOc1nc(OC)c(Sc2nccc(N)n2)c(OC)n1
InChIInChI=1S/C11H13N5O3S/c1-17-8-7(9(18-2)16-10(15-8)19-3)20-11-13-5-4-6(12)14-11/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyKRQONNTVXBFDHK-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.03
Rot. Bonds5

About 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine

2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine (PubChem CID 121224759) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine
PubChem CID121224759
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine
SMILESCOc1nc(OC)c(Sc2nccc(N)n2)c(OC)n1
InChIInChI=1S/C11H13N5O3S/c1-17-8-7(9(18-2)16-10(15-8)19-3)20-11-13-5-4-6(12)14-11/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyKRQONNTVXBFDHK-UHFFFAOYSA-N
XLogP1.03
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine (CID 121224759) is 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine is COc1nc(OC)c(Sc2nccc(N)n2)c(OC)n1.
What is the InChIKey of 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine?
The InChIKey is KRQONNTVXBFDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-17-8-7(9(18-2)16-10(15-8)19-3)20-11-13-5-4-6(12)14-11/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine?
2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine has a molecular weight of 295.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 121224759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).