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

C14H23N3O3S — CID 648632

IUPAC4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCCN2CCOCC2)[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)
InChIKeyJLRFJFORWAACBU-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.10
Rot. Bonds6

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

4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 648632) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID648632
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCCN2CCOCC2)[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)
InChIKeyJLRFJFORWAACBU-UHFFFAOYSA-N
XLogP1.10
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 648632) is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one is CC(C)Cc1c(O)nc(SCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is JLRFJFORWAACBU-UHFFFAOYSA-N. 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).
What are the key properties of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 313.42 g/mol, XLogP of 1.10, 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 is sourced from PubChem (CID 648632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).