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

C7H12ClN3O2S — CID 90036588

IUPAC5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCSc1nc(O)c(N)c(=O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2S.ClH/c1-2-3-13-7-9-5(11)4(8)6(12)10-7;/h2-3,8H2,1H3,(H2,9,10,11,12);1H
InChIKeyPVRKNRIOXXKKBW-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.98
Rot. Bonds3

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

5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 90036588) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID90036588
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride
SMILESCCCSc1nc(O)c(N)c(=O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2S.ClH/c1-2-3-13-7-9-5(11)4(8)6(12)10-7;/h2-3,8H2,1H3,(H2,9,10,11,12);1H
InChIKeyPVRKNRIOXXKKBW-UHFFFAOYSA-N
XLogP0.98
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.98
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;hydrochloride?
The IUPAC name of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride (CID 90036588) is 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride is CCCSc1nc(O)c(N)c(=O)[nH]1.Cl.
What is the InChIKey of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is PVRKNRIOXXKKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S.ClH/c1-2-3-13-7-9-5(11)4(8)6(12)10-7;/h2-3,8H2,1H3,(H2,9,10,11,12);1H.
What are the key properties of 5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 237.71 g/mol, XLogP of 0.98, 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;hydrochloride is sourced from PubChem (CID 90036588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).