4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C14H21N3O4S — CID 4053240

IUPAC4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4S/c1-9(2)7-10-12(19)15-14(16-13(10)20)22-8-11(18)17-3-5-21-6-4-17/h9H,3-8H2,1-2H3,(H2,15,16,19,20)
InChIKeyBKFYPWLCQJHKTR-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.62
Rot. Bonds5

About 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 4053240) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID4053240
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCC(C)Cc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4S/c1-9(2)7-10-12(19)15-14(16-13(10)20)22-8-11(18)17-3-5-21-6-4-17/h9H,3-8H2,1-2H3,(H2,15,16,19,20)
InChIKeyBKFYPWLCQJHKTR-UHFFFAOYSA-N
XLogP0.62
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.62
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-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 4053240) is 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is CC(C)Cc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is BKFYPWLCQJHKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9(2)7-10-12(19)15-14(16-13(10)20)22-8-11(18)17-3-5-21-6-4-17/h9H,3-8H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 327.41 g/mol, XLogP of 0.62, 5 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-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 4053240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).