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

C7H10ClN3OS — CID 167715888

IUPAC5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(Cl)c(N)c(=O)[nH]1
InChIInChI=1S/C7H10ClN3OS/c1-2-3-13-7-10-5(8)4(9)6(12)11-7/h2-3,9H2,1H3,(H,10,11,12)
InChIKeyQHDBADQRGXYPKA-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.51
Rot. Bonds3

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

5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 167715888) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID167715888
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(Cl)c(N)c(=O)[nH]1
InChIInChI=1S/C7H10ClN3OS/c1-2-3-13-7-10-5(8)4(9)6(12)11-7/h2-3,9H2,1H3,(H,10,11,12)
InChIKeyQHDBADQRGXYPKA-UHFFFAOYSA-N
XLogP1.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one (CID 167715888) is 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1nc(Cl)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is QHDBADQRGXYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-2-3-13-7-10-5(8)4(9)6(12)11-7/h2-3,9H2,1H3,(H,10,11,12).
What are the key properties of 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 219.70 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167715888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).