6-amino-3,4-dihydro-1H-pyrimidine-2-thione

C4H7N3S — CID 45078846

IUPAC6-amino-3,4-dihydro-1H-pyrimidine-2-thione
SMILESNC1=CCNC(=S)N1
InChIInChI=1S/C4H7N3S/c5-3-1-2-6-4(8)7-3/h1H,2,5H2,(H2,6,7,8)
InChIKeyRNVGSNLARHVBHJ-UHFFFAOYSA-N
MW129.19 g/mol
LogP-0.74
Rot. Bonds

About 6-amino-3,4-dihydro-1H-pyrimidine-2-thione

6-amino-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 45078846) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-amino-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID45078846
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name6-amino-3,4-dihydro-1H-pyrimidine-2-thione
SMILESNC1=CCNC(=S)N1
InChIInChI=1S/C4H7N3S/c5-3-1-2-6-4(8)7-3/h1H,2,5H2,(H2,6,7,8)
InChIKeyRNVGSNLARHVBHJ-UHFFFAOYSA-N
XLogP-0.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-3,4-dihydro-1H-pyrimidine-2-thione 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 6-amino-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 6-amino-3,4-dihydro-1H-pyrimidine-2-thione (CID 45078846) is 6-amino-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-amino-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-amino-3,4-dihydro-1H-pyrimidine-2-thione is NC1=CCNC(=S)N1.
What is the InChIKey of 6-amino-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is RNVGSNLARHVBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c5-3-1-2-6-4(8)7-3/h1H,2,5H2,(H2,6,7,8).
What are the key properties of 6-amino-3,4-dihydro-1H-pyrimidine-2-thione?
6-amino-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 129.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 45078846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).