2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

C8H12N2O2S — CID 662121

IUPAC2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)Sc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)13-7-9-5(11)4-6(12)10-7/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyYGWGHZWZKSCWIQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.37
Rot. Bonds1

About 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one

2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 662121) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID662121
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(C)Sc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)13-7-9-5(11)4-6(12)10-7/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyYGWGHZWZKSCWIQ-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one (CID 662121) is 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is CC(C)(C)Sc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is YGWGHZWZKSCWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)13-7-9-5(11)4-6(12)10-7/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one?
2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 662121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).