2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine

C11H13N3OS — CID 91427192

IUPAC2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1ncc(CSc2ccoc2C)c(N)n1
InChIInChI=1S/C11H13N3OS/c1-7-10(3-4-15-7)16-6-9-5-13-8(2)14-11(9)12/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyFFUFDVBXWWSORD-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine

2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 91427192) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID91427192
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCc1ncc(CSc2ccoc2C)c(N)n1
InChIInChI=1S/C11H13N3OS/c1-7-10(3-4-15-7)16-6-9-5-13-8(2)14-11(9)12/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyFFUFDVBXWWSORD-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine (CID 91427192) is 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine is Cc1ncc(CSc2ccoc2C)c(N)n1.
What is the InChIKey of 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is FFUFDVBXWWSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-10(3-4-15-7)16-6-9-5-13-8(2)14-11(9)12/h3-5H,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine?
2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 235.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 91427192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).