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

C10H15N3S — CID 106477489

IUPAC2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C10H15N3S/c1-13(2)6-9-11-8-5-3-4-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyKDPJJBWBLMYLAQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.69
Rot. Bonds2

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

2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477489) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477489
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)Cc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C10H15N3S/c1-13(2)6-9-11-8-5-3-4-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyKDPJJBWBLMYLAQ-UHFFFAOYSA-N
XLogP1.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
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

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
1,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-thione
CID 21817975
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476983
2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477180
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477199
2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477234
2-Propyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477350
2-Propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477375
2-(1,4-Dimethylpiperazin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477418
2-[2-(Dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477456
2-(1,4-Dimethyl-1,4-diazepan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477457
2-(Diethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477476

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477489) is 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CN(C)Cc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is KDPJJBWBLMYLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-13(2)6-9-11-8-5-3-4-7(8)10(14)12-9/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).