4-amino-6-chloro-2-methylpyrimidine-5-thiol

C5H6ClN3S — CID 22244049

IUPAC4-amino-6-chloro-2-methylpyrimidine-5-thiol
SMILESCc1nc(N)c(S)c(Cl)n1
InChIInChI=1S/C5H6ClN3S/c1-2-8-4(6)3(10)5(7)9-2/h10H,1H3,(H2,7,8,9)
InChIKeyLBMVFIYALCRPDM-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.31
Rot. Bonds

About 4-amino-6-chloro-2-methylpyrimidine-5-thiol

4-amino-6-chloro-2-methylpyrimidine-5-thiol (PubChem CID 22244049) has the molecular formula C5H6ClN3S and a molecular weight of 175.64 g/mol. Its IUPAC name is 4-amino-6-chloro-2-methylpyrimidine-5-thiol.

Molecular Properties

Compound Name4-amino-6-chloro-2-methylpyrimidine-5-thiol
PubChem CID22244049
Molecular FormulaC5H6ClN3S
Molecular Weight175.64 g/mol
Exact Mass175.00
IUPAC Name4-amino-6-chloro-2-methylpyrimidine-5-thiol
SMILESCc1nc(N)c(S)c(Cl)n1
InChIInChI=1S/C5H6ClN3S/c1-2-8-4(6)3(10)5(7)9-2/h10H,1H3,(H2,7,8,9)
InChIKeyLBMVFIYALCRPDM-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-amino-6-chloro-2-methylpyrimidine-5-thiol 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 4-amino-6-chloro-2-methylpyrimidine-5-thiol?
The IUPAC name of 4-amino-6-chloro-2-methylpyrimidine-5-thiol (CID 22244049) is 4-amino-6-chloro-2-methylpyrimidine-5-thiol.
What is the SMILES notation for 4-amino-6-chloro-2-methylpyrimidine-5-thiol?
The canonical SMILES for 4-amino-6-chloro-2-methylpyrimidine-5-thiol is Cc1nc(N)c(S)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-methylpyrimidine-5-thiol?
The InChIKey is LBMVFIYALCRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3S/c1-2-8-4(6)3(10)5(7)9-2/h10H,1H3,(H2,7,8,9).
What are the key properties of 4-amino-6-chloro-2-methylpyrimidine-5-thiol?
4-amino-6-chloro-2-methylpyrimidine-5-thiol has a molecular weight of 175.64 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-methylpyrimidine-5-thiol is sourced from PubChem (CID 22244049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).