2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine

C11H10ClFN4S2 — CID 23293858

IUPAC2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(SCc2ncccc2Cl)nc(N)c1F
InChIInChI=1S/C11H10ClFN4S2/c1-18-10-8(13)9(14)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKeyGAKFXJLKHCMFJA-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.26
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine

2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine (PubChem CID 23293858) has the molecular formula C11H10ClFN4S2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine
PubChem CID23293858
Molecular FormulaC11H10ClFN4S2
Molecular Weight316.81 g/mol
Exact Mass316.00
IUPAC Name2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(SCc2ncccc2Cl)nc(N)c1F
InChIInChI=1S/C11H10ClFN4S2/c1-18-10-8(13)9(14)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKeyGAKFXJLKHCMFJA-UHFFFAOYSA-N
XLogP3.26
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine (CID 23293858) is 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine is CSc1nc(SCc2ncccc2Cl)nc(N)c1F.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is GAKFXJLKHCMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4S2/c1-18-10-8(13)9(14)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3,(H2,14,16,17).
What are the key properties of 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine?
2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 316.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 23293858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).