2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H16FN3OS — CID 66051757

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccccc2F)n1
InChIInChI=1S/C14H16FN3OS/c1-16-13-7-10(8-19-2)17-14(18-13)9-20-12-6-4-3-5-11(12)15/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRCGQXPCIFAXIFT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.10
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66051757) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66051757
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccccc2F)n1
InChIInChI=1S/C14H16FN3OS/c1-16-13-7-10(8-19-2)17-14(18-13)9-20-12-6-4-3-5-11(12)15/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyRCGQXPCIFAXIFT-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66051757) is 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(CSc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is RCGQXPCIFAXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-16-13-7-10(8-19-2)17-14(18-13)9-20-12-6-4-3-5-11(12)15/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66051757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).