5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine

C15H17F2N3S — CID 66051944

IUPAC5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2F)nc(C)c1F
InChIInChI=1S/C15H17F2N3S/c1-3-8-18-15-14(17)10(2)19-13(20-15)9-21-12-7-5-4-6-11(12)16/h4-7H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyDZTQVSJQZBWIJP-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.18
Rot. Bonds6

About 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine

5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66051944) has the molecular formula C15H17F2N3S and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66051944
Molecular FormulaC15H17F2N3S
Molecular Weight309.38 g/mol
Exact Mass309.11
IUPAC Name5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2F)nc(C)c1F
InChIInChI=1S/C15H17F2N3S/c1-3-8-18-15-14(17)10(2)19-13(20-15)9-21-12-7-5-4-6-11(12)16/h4-7H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyDZTQVSJQZBWIJP-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine (CID 66051944) is 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CSc2ccccc2F)nc(C)c1F.
What is the InChIKey of 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is DZTQVSJQZBWIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3S/c1-3-8-18-15-14(17)10(2)19-13(20-15)9-21-12-7-5-4-6-11(12)16/h4-7H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine?
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).