1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione

C8H15N3OS — CID 132595393

IUPAC1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione
SMILESCC1NC(=S)N(N)C2(O)CCCC12
InChIInChI=1S/C8H15N3OS/c1-5-6-3-2-4-8(6,12)11(9)7(13)10-5/h5-6,12H,2-4,9H2,1H3,(H,10,13)
InChIKeyDZBVBIXZUOBPLD-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.07
Rot. Bonds

About 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione

1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione (PubChem CID 132595393) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione.

Molecular Properties

Compound Name1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione
PubChem CID132595393
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione
SMILESCC1NC(=S)N(N)C2(O)CCCC12
InChIInChI=1S/C8H15N3OS/c1-5-6-3-2-4-8(6,12)11(9)7(13)10-5/h5-6,12H,2-4,9H2,1H3,(H,10,13)
InChIKeyDZBVBIXZUOBPLD-UHFFFAOYSA-N
XLogP-0.07
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[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

Related Compounds

1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione
CID 132595391
(4aR,8aR)-8a-hydroxy-1-(propan-2-ylideneamino)spiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione
CID 40531407
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
CID 2969135
5-methylcyclooctane-1,1-diol
CID 22461370
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
CID 130763527
(5S,7S)-2-tert-butyl-7-methyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 728829
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1S,6R)-7-(dimethylamino)bicyclo[4.1.0]heptan-7-ol
CID 11344136
trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478

Frequently Asked Questions

What is the IUPAC name of 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione?
The IUPAC name of 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione (CID 132595393) is 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione.
What is the SMILES notation for 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione?
The canonical SMILES for 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione is CC1NC(=S)N(N)C2(O)CCCC12.
What is the InChIKey of 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione?
The InChIKey is DZBVBIXZUOBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5-6-3-2-4-8(6,12)11(9)7(13)10-5/h5-6,12H,2-4,9H2,1H3,(H,10,13).
What are the key properties of 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione?
1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione has a molecular weight of 201.29 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7a-hydroxy-4-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[d]pyrimidine-2-thione is sourced from PubChem (CID 132595393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).