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

C12H14N4OS — CID 79239990

IUPAC2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1cccc(CSc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H14N4OS/c1-2-13-10-5-3-4-9(15-10)8-18-12-14-7-6-11(17)16-12/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyJARRWWFTIGWKMJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.89
Rot. Bonds5

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

2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 79239990) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID79239990
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1cccc(CSc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H14N4OS/c1-2-13-10-5-3-4-9(15-10)8-18-12-14-7-6-11(17)16-12/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyJARRWWFTIGWKMJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one (CID 79239990) is 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one is CCNc1cccc(CSc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is JARRWWFTIGWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-13-10-5-3-4-9(15-10)8-18-12-14-7-6-11(17)16-12/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16,17).
What are the key properties of 2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[6-(ethylamino)-2-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-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 79239990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).