2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one

C12H14N4OS — CID 62466779

IUPAC2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1ncccc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C12H14N4OS/c1-2-13-11-9(4-3-6-14-11)8-18-12-15-7-5-10(17)16-12/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16,17)
InChIKeyONYYAPHLVWIVTG-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.89
Rot. Bonds5

About 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one

2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62466779) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62466779
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1ncccc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C12H14N4OS/c1-2-13-11-9(4-3-6-14-11)8-18-12-15-7-5-10(17)16-12/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16,17)
InChIKeyONYYAPHLVWIVTG-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62464174
2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 79239990
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 19829479
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 80654238
2-[(3-amino-2-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 114048821
N-ethyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468721
2-[2-(ethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 61385767
N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
CID 62468038
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one (CID 62466779) is 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one is CCNc1ncccc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ONYYAPHLVWIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-13-11-9(4-3-6-14-11)8-18-12-15-7-5-10(17)16-12/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16,17).
What are the key properties of 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 262.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62466779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).