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

C12H12Cl2N4OS — CID 102761277

IUPAC2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-2-4-15-10-7(13)6-8(14)11(18-10)20-12-16-5-3-9(19)17-12/h3,5-6H,2,4H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyFJBRSMOXWXMECA-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.44
Rot. Bonds5

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

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 102761277) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID102761277
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-2-4-15-10-7(13)6-8(14)11(18-10)20-12-16-5-3-9(19)17-12/h3,5-6H,2,4H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyFJBRSMOXWXMECA-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
CID 102761403
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 80640625
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208
methyl 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]acetate
CID 102761391
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 79734047
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one (CID 102761277) is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is CCCNc1nc(Sc2nccc(=O)[nH]2)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is FJBRSMOXWXMECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c1-2-4-15-10-7(13)6-8(14)11(18-10)20-12-16-5-3-9(19)17-12/h3,5-6H,2,4H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one?
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 331.23 g/mol, XLogP of 3.44, 5 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-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102761277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).