5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

C16H14FN3S2 — CID 23294048

IUPAC5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F
InChIInChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyUVMNFAJEGXNCSN-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.37
Rot. Bonds4

About 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 23294048) has the molecular formula C16H14FN3S2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID23294048
Molecular FormulaC16H14FN3S2
Molecular Weight331.44 g/mol
Exact Mass331.06
IUPAC Name5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F
InChIInChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyUVMNFAJEGXNCSN-UHFFFAOYSA-N
XLogP4.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 23294048) is 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is CSc1nc(SCc2ccc3ccccc3c2)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is UVMNFAJEGXNCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S2/c1-21-15-13(17)14(18)19-16(20-15)22-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 23294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).