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

C10H10FN5OS — CID 80893235

IUPAC2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H10FN5OS/c1-2-12-9-14-5-6(11)8(16-9)18-10-13-4-3-7(17)15-10/h3-5H,2H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyHJHQIFVAWXNMMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.28
Rot. Bonds4

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

2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80893235) has the molecular formula C10H10FN5OS and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80893235
Molecular FormulaC10H10FN5OS
Molecular Weight267.29 g/mol
Exact Mass267.06
IUPAC Name2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H10FN5OS/c1-2-12-9-14-5-6(11)8(16-9)18-10-13-4-3-7(17)15-10/h3-5H,2H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyHJHQIFVAWXNMMJ-UHFFFAOYSA-N
XLogP1.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
2-[6-(ethylamino)pyrazin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892748
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893711
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80893235) is 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CCNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HJHQIFVAWXNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5OS/c1-2-12-9-14-5-6(11)8(16-9)18-10-13-4-3-7(17)15-10/h3-5H,2H2,1H3,(H,12,14,16)(H,13,15,17).
What are the key properties of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 267.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80893235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).