2-propylsulfanyl-1H-pyrimidin-6-one

C7H10N2OS — CID 534217

IUPAC2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h3-4H,2,5H2,1H3,(H,8,9,10)
InChIKeyBZNZMDBBTRVRQI-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.27
Rot. Bonds3

About 2-propylsulfanyl-1H-pyrimidin-6-one

2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 534217) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID534217
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h3-4H,2,5H2,1H3,(H,8,9,10)
InChIKeyBZNZMDBBTRVRQI-UHFFFAOYSA-N
XLogP1.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-propylsulfanyl-1H-pyrimidin-6-one (CID 534217) is 2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1nccc(=O)[nH]1.
What is the InChIKey of 2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is BZNZMDBBTRVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h3-4H,2,5H2,1H3,(H,8,9,10).
What are the key properties of 2-propylsulfanyl-1H-pyrimidin-6-one?
2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 534217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).