2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C12H15N5OS — CID 80893952

IUPAC2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)nc(Sc2nccc(=O)[nH]2)c1C
InChIInChI=1S/C12H15N5OS/c1-4-13-10-7(2)11(16-8(3)15-10)19-12-14-6-5-9(18)17-12/h5-6H,4H2,1-3H3,(H,13,15,16)(H,14,17,18)
InChIKeyDDRRKYOCSSMDAI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.76
Rot. Bonds4

About 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80893952) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80893952
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)nc(Sc2nccc(=O)[nH]2)c1C
InChIInChI=1S/C12H15N5OS/c1-4-13-10-7(2)11(16-8(3)15-10)19-12-14-6-5-9(18)17-12/h5-6H,4H2,1-3H3,(H,13,15,16)(H,14,17,18)
InChIKeyDDRRKYOCSSMDAI-UHFFFAOYSA-N
XLogP1.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925999
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893548
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-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 81000545
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
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
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761277
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80890159

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80893952) is 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CCNc1nc(C)nc(Sc2nccc(=O)[nH]2)c1C.
What is the InChIKey of 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is DDRRKYOCSSMDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-4-13-10-7(2)11(16-8(3)15-10)19-12-14-6-5-9(18)17-12/h5-6H,4H2,1-3H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 277.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80893952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).