2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one

C8H13N3OS — CID 21415041

IUPAC2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H13N3OS/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyMXGJRXUIXWJMHW-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.95
Rot. Bonds3

About 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one

2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one (PubChem CID 21415041) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one
PubChem CID21415041
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C8H13N3OS/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyMXGJRXUIXWJMHW-UHFFFAOYSA-N
XLogP0.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one (CID 21415041) is 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one is CCSc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is MXGJRXUIXWJMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4-13-7-5-6(12)9-8(10-7)11(2)3/h5H,4H2,1-3H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 199.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-ethylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 21415041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).