2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine

C10H9FN2OS — CID 164655221

IUPAC2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1ccoc1C
InChIInChI=1S/C10H9FN2OS/c1-6-5-12-10(11)13-9(6)15-8-3-4-14-7(8)2/h3-5H,1-2H3
InChIKeyODASFNNXUQCFOE-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.98
Rot. Bonds2

About 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine

2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine (PubChem CID 164655221) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine
PubChem CID164655221
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1ccoc1C
InChIInChI=1S/C10H9FN2OS/c1-6-5-12-10(11)13-9(6)15-8-3-4-14-7(8)2/h3-5H,1-2H3
InChIKeyODASFNNXUQCFOE-UHFFFAOYSA-N
XLogP2.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Pyrimidinylthio)-2-furaldehyde
CID 1112170
5-[(Furan-2-yl)methanesulfonyl]-2-methylpyrimidin-4-amine
CID 2820062
5-(4-Methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
CID 7176223
2-Methyl-4-amino-5-(2-methyl-3-furylthiomethyl)pyrimidine
CID 91427192
5-Bromo-4-(furan-2-ylmethylsulfanyl)-2-methylpyrimidine
CID 131182536
2-Chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine
CID 79076416
5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80892757
5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893241
N-ethyl-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893242
5-Fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893561
[5-Fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80925534
6-(furan-2-ylmethylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774927

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine?
The IUPAC name of 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine (CID 164655221) is 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine?
The canonical SMILES for 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine is Cc1cnc(F)nc1Sc1ccoc1C.
What is the InChIKey of 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine?
The InChIKey is ODASFNNXUQCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-12-10(11)13-9(6)15-8-3-4-14-7(8)2/h3-5H,1-2H3.
What are the key properties of 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine?
2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine has a molecular weight of 224.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-(2-methylfuran-3-yl)sulfanylpyrimidine is sourced from PubChem (CID 164655221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).