4-amino-1-methyl-2H-pyrimidine-2-thiol

C5H9N3S — CID 137410633

IUPAC4-amino-1-methyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC(N)=NC1S
InChIInChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-3,5,9H,1H3,(H2,6,7)
InChIKeyAAEDVLUHIFIDQC-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.02
Rot. Bonds

About 4-amino-1-methyl-2H-pyrimidine-2-thiol

4-amino-1-methyl-2H-pyrimidine-2-thiol (PubChem CID 137410633) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 4-amino-1-methyl-2H-pyrimidine-2-thiol.

Molecular Properties

Compound Name4-amino-1-methyl-2H-pyrimidine-2-thiol
PubChem CID137410633
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name4-amino-1-methyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC(N)=NC1S
InChIInChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-3,5,9H,1H3,(H2,6,7)
InChIKeyAAEDVLUHIFIDQC-UHFFFAOYSA-N
XLogP0.02
TPSA41.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-2H-pyrimidine-2-thiol?
The IUPAC name of 4-amino-1-methyl-2H-pyrimidine-2-thiol (CID 137410633) is 4-amino-1-methyl-2H-pyrimidine-2-thiol.
What is the SMILES notation for 4-amino-1-methyl-2H-pyrimidine-2-thiol?
The canonical SMILES for 4-amino-1-methyl-2H-pyrimidine-2-thiol is CN1C=CC(N)=NC1S.
What is the InChIKey of 4-amino-1-methyl-2H-pyrimidine-2-thiol?
The InChIKey is AAEDVLUHIFIDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-8-3-2-4(6)7-5(8)9/h2-3,5,9H,1H3,(H2,6,7).
What are the key properties of 4-amino-1-methyl-2H-pyrimidine-2-thiol?
4-amino-1-methyl-2H-pyrimidine-2-thiol has a molecular weight of 143.22 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-2H-pyrimidine-2-thiol is sourced from PubChem (CID 137410633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).