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

C11H20N2O2S — CID 142476251

IUPAC4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane
SMILESCCC.CSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S.C3H8/c1-4(2)5-6(11)9-8(13-3)10-7(5)12;1-3-2/h4H,1-3H3,(H2,9,10,11,12);3H2,1-2H3
InChIKeyPLOHZNMJWOGNGF-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.74
Rot. Bonds2

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

4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane (PubChem CID 142476251) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane
PubChem CID142476251
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane
SMILESCCC.CSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2S.C3H8/c1-4(2)5-6(11)9-8(13-3)10-7(5)12;1-3-2/h4H,1-3H3,(H2,9,10,11,12);3H2,1-2H3
InChIKeyPLOHZNMJWOGNGF-UHFFFAOYSA-N
XLogP2.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.74
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;propane?
The IUPAC name of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane (CID 142476251) is 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane?
The canonical SMILES for 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane is CCC.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;propane?
The InChIKey is PLOHZNMJWOGNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.C3H8/c1-4(2)5-6(11)9-8(13-3)10-7(5)12;1-3-2/h4H,1-3H3,(H2,9,10,11,12);3H2,1-2H3.
What are the key properties of 4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane?
4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one;propane has a molecular weight of 244.36 g/mol, XLogP of 2.74, 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;propane is sourced from PubChem (CID 142476251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).