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

C14H23ClN3O3S- — CID 53314666

IUPAC4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride
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/p-1
InChIKeySIJHYZMYJJJMIZ-UHFFFAOYSA-M
MW348.88 g/mol
LogP-1.90
Rot. Bonds6

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

4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride (PubChem CID 53314666) has the molecular formula C14H23ClN3O3S- and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride
PubChem CID53314666
Molecular FormulaC14H23ClN3O3S-
Molecular Weight348.88 g/mol
Exact Mass348.12
IUPAC Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride
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/p-1
InChIKeySIJHYZMYJJJMIZ-UHFFFAOYSA-M
XLogP-1.90
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 5-1.90
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 chloride?
The IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride (CID 53314666) is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride?
The canonical SMILES for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride 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 chloride?
The InChIKey is SIJHYZMYJJJMIZ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride?
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride has a molecular weight of 348.88 g/mol, XLogP of -1.90, 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 chloride is sourced from PubChem (CID 53314666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).