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

C11H14N2S — CID 106477566

IUPAC2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC1CC1c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H14N2S/c1-6-5-8(6)10-12-9-4-2-3-7(9)11(14)13-10/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyDHIRYKRDSGJIMJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.75
Rot. Bonds1

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

2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477566) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477566
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC1CC1c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H14N2S/c1-6-5-8(6)10-12-9-4-2-3-7(9)11(14)13-10/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyDHIRYKRDSGJIMJ-UHFFFAOYSA-N
XLogP2.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477566) is 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CC1CC1c1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is DHIRYKRDSGJIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-6-5-8(6)10-12-9-4-2-3-7(9)11(14)13-10/h6,8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 206.31 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).