2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C11H15N3S — CID 106477328

IUPAC2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(N2CCCC2)[nH]c2c1CCC2
InChIInChI=1S/C11H15N3S/c15-10-8-4-3-5-9(8)12-11(13-10)14-6-1-2-7-14/h1-7H2,(H,12,13,15)
InChIKeyKWRXMUKMFOIOBD-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.23
Rot. Bonds1

About 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477328) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477328
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(N2CCCC2)[nH]c2c1CCC2
InChIInChI=1S/C11H15N3S/c15-10-8-4-3-5-9(8)12-11(13-10)14-6-1-2-7-14/h1-7H2,(H,12,13,15)
InChIKeyKWRXMUKMFOIOBD-UHFFFAOYSA-N
XLogP2.23
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.23
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

5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477081
2-(diethylamino)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477220
2-(Azepan-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477351
2-(Dimethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477352
2-Piperidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477353
2-(Diethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477476
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478086
2-(Diethylamino)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478735
2-Pyrrolidin-1-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 113839418

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477328) is 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc(N2CCCC2)[nH]c2c1CCC2.
What is the InChIKey of 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is KWRXMUKMFOIOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c15-10-8-4-3-5-9(8)12-11(13-10)14-6-1-2-7-14/h1-7H2,(H,12,13,15).
What are the key properties of 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 221.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).