5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one

C7H11N3O2S — CID 73296253

IUPAC5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-2-3-13-7-9-5(11)4(8)6(12)10-7/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeySDELXXNSXQVIOO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.56
Rot. Bonds3

About 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one

5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 73296253) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID73296253
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-2-3-13-7-9-5(11)4(8)6(12)10-7/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeySDELXXNSXQVIOO-UHFFFAOYSA-N
XLogP0.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one (CID 73296253) is 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is SDELXXNSXQVIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-3-13-7-9-5(11)4(8)6(12)10-7/h2-3,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 201.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 73296253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).