4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine

C19H16N6O2S — CID 11696820

IUPAC4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccnc(SC)n3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C19H16N6O2S/c1-26-16-6-5-12(10-21-16)23-18-22-11-13(14-7-8-20-19(24-14)28-2)17(25-18)15-4-3-9-27-15/h3-11H,1-2H3,(H,22,23,25)
InChIKeyWKWSVUIWTBIOMU-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.06
Rot. Bonds6

About 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine

4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 11696820) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine
PubChem CID11696820
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccnc(SC)n3)c(-c3ccco3)n2)cn1
InChIInChI=1S/C19H16N6O2S/c1-26-16-6-5-12(10-21-16)23-18-22-11-13(14-7-8-20-19(24-14)28-2)17(25-18)15-4-3-9-27-15/h3-11H,1-2H3,(H,22,23,25)
InChIKeyWKWSVUIWTBIOMU-UHFFFAOYSA-N
XLogP4.06
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine (CID 11696820) is 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine is COc1ccc(Nc2ncc(-c3ccnc(SC)n3)c(-c3ccco3)n2)cn1.
What is the InChIKey of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is WKWSVUIWTBIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-26-16-6-5-12(10-21-16)23-18-22-11-13(14-7-8-20-19(24-14)28-2)17(25-18)15-4-3-9-27-15/h3-11H,1-2H3,(H,22,23,25).
What are the key properties of 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 392.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 11696820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).