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

C14H24ClN3O3S — CID 5337466

IUPAC4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)Cc1c(O)nc(SCCN2CCOCC2)[nH]c1=O.Cl
InChIInChI=1S/C14H23N3O3S.ClH/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);1H
InChIKeySIJHYZMYJJJMIZ-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.52
Rot. Bonds6

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

4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 5337466) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
PubChem CID5337466
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)Cc1c(O)nc(SCCN2CCOCC2)[nH]c1=O.Cl
InChIInChI=1S/C14H23N3O3S.ClH/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);1H
InChIKeySIJHYZMYJJJMIZ-UHFFFAOYSA-N
XLogP1.52
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride (CID 5337466) is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride is CC(C)Cc1c(O)nc(SCCN2CCOCC2)[nH]c1=O.Cl.
What is the InChIKey of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SIJHYZMYJJJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/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);1H.
What are the key properties of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride?
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 5337466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).