4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one

C8H12N2O2S — CID 68849980

IUPAC4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-4(2)5-6(11)9-8(13-3)10-7(5)12/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyYDRZXOJCBHDMDN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.32
Rot. Bonds2

About 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 68849980) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID68849980
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-4(2)5-6(11)9-8(13-3)10-7(5)12/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyYDRZXOJCBHDMDN-UHFFFAOYSA-N
XLogP1.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 68849980) is 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is CSc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YDRZXOJCBHDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4(2)5-6(11)9-8(13-3)10-7(5)12/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 68849980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).