2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one

C14H18N4OS — CID 136835784

IUPAC2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCNC(C)c1cccnc1Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H18N4OS/c1-4-15-10(3)11-6-5-7-16-13(11)20-14-17-9(2)8-12(19)18-14/h5-8,10,15H,4H2,1-3H3,(H,17,18,19)
InChIKeyODRRMCIVZGBUNC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.30
Rot. Bonds5

About 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136835784) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136835784
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCNC(C)c1cccnc1Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H18N4OS/c1-4-15-10(3)11-6-5-7-16-13(11)20-14-17-9(2)8-12(19)18-14/h5-8,10,15H,4H2,1-3H3,(H,17,18,19)
InChIKeyODRRMCIVZGBUNC-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 136835784) is 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one is CCNC(C)c1cccnc1Sc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ODRRMCIVZGBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-15-10(3)11-6-5-7-16-13(11)20-14-17-9(2)8-12(19)18-14/h5-8,10,15H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 290.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136835784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).