4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione

C8H11N3S — CID 19937352

IUPAC4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione
SMILESCn1c2c(c(N)nc1=S)CCC2
InChIInChI=1S/C8H11N3S/c1-11-6-4-2-3-5(6)7(9)10-8(11)12/h2-4H2,1H3,(H2,9,10,12)
InChIKeyNTOJWANBMGDYOD-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.22
Rot. Bonds

About 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione

4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione (PubChem CID 19937352) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione
PubChem CID19937352
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione
SMILESCn1c2c(c(N)nc1=S)CCC2
InChIInChI=1S/C8H11N3S/c1-11-6-4-2-3-5(6)7(9)10-8(11)12/h2-4H2,1H3,(H2,9,10,12)
InChIKeyNTOJWANBMGDYOD-UHFFFAOYSA-N
XLogP1.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]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 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione?
The IUPAC name of 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione (CID 19937352) is 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione is Cn1c2c(c(N)nc1=S)CCC2.
What is the InChIKey of 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione?
The InChIKey is NTOJWANBMGDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-11-6-4-2-3-5(6)7(9)10-8(11)12/h2-4H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione?
4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione has a molecular weight of 181.26 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-thione is sourced from PubChem (CID 19937352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).