2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C9H13N3S — CID 106477352

IUPAC2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C9H13N3S/c1-12(2)9-10-7-5-3-4-6(7)8(13)11-9/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyJSONIWKDQUYVFB-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.69
Rot. Bonds1

About 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477352) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477352
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C9H13N3S/c1-12(2)9-10-7-5-3-4-6(7)8(13)11-9/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyJSONIWKDQUYVFB-UHFFFAOYSA-N
XLogP1.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5,6,7-Tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 1408783
2-Amino-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 3353652
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488435
2-amino-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-thione
CID 84022463
2-Amino-3-methyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 84023994
2-(azepan-1-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476845
2-(dimethylamino)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477106
2-(diethylamino)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477220
2-Pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477328
2-(Azepan-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477351
2-Piperidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477353

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477352) is 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CN(C)c1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is JSONIWKDQUYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-12(2)9-10-7-5-3-4-6(7)8(13)11-9/h3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).