4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one

C14H24N3O3S+ — CID 1395852

IUPAC4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCC[NH+]2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)9-11-12(18)15-14(16-13(11)19)21-8-5-17-3-6-20-7-4-17/h10H,3-9H2,1-2H3,(H2,15,16,18,19)/p+1
InChIKeyJLRFJFORWAACBU-UHFFFAOYSA-O
MW314.43 g/mol
LogP-0.32
Rot. Bonds6

About 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one

4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 1395852) has the molecular formula C14H24N3O3S+ and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID1395852
Molecular FormulaC14H24N3O3S+
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCC[NH+]2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)9-11-12(18)15-14(16-13(11)19)21-8-5-17-3-6-20-7-4-17/h10H,3-9H2,1-2H3,(H2,15,16,18,19)/p+1
InChIKeyJLRFJFORWAACBU-UHFFFAOYSA-O
XLogP-0.32
TPSA79.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 1395852) is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one is CC(C)Cc1c(O)nc(SCC[NH+]2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is JLRFJFORWAACBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)9-11-12(18)15-14(16-13(11)19)21-8-5-17-3-6-20-7-4-17/h10H,3-9H2,1-2H3,(H2,15,16,18,19)/p+1.
What are the key properties of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 314.43 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 1395852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).