6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

C7H10N2OS — CID 657298

💊View drug profile → propylthiouracil
IUPAC6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyKNAHARQHSZJURB-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.38
Rot. Bonds2

About 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 657298) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID657298
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyKNAHARQHSZJURB-UHFFFAOYSA-N
XLogP1.38
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

Methylthiouracil
CID 667493
5-Ethyl-6-methyl-2-thiouracil
CID 1540617
6-Ethyl-4-hydroxy-2-mercaptopyrimidine
CID 2730572
Uracil, 5-allyl-6-methyl-2-thio-
CID 697213
Uracil, 6-cyclopropyl-2-thio-
CID 3036432
6-Isopropyl-2-mercaptopyrimidin-4-OL
CID 3034510
6-pentyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 3278847
6-(Heptafluoropropyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CID 71410137
6-tert-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 737911
5-bromo-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 44338075
6-n-Propyluracil
CID 96188
2-(6-Oxo-2-sulfanyl-1,6-dihydropyrimidin-4-yl)acetamide
CID 7063827

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 657298) is 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is CCCc1cc(=O)[nH]c(=S)[nH]1.
What is the InChIKey of 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is KNAHARQHSZJURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 657298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).