2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

C11H10Cl2N4OS — CID 102761278

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4OS/c1-2-14-9-6(12)5-7(13)10(17-9)19-11-15-4-3-8(18)16-11/h3-5H,2H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLWMHGZFPIALTDG-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.05
Rot. Bonds4

About 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 102761278) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID102761278
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4OS/c1-2-14-9-6(12)5-7(13)10(17-9)19-11-15-4-3-8(18)16-11/h3-5H,2H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLWMHGZFPIALTDG-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761277
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
2-[6-(ethylamino)pyrazin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892748
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893711

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (CID 102761278) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is CCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is LWMHGZFPIALTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-2-14-9-6(12)5-7(13)10(17-9)19-11-15-4-3-8(18)16-11/h3-5H,2H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 317.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102761278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).