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

C10H14N2S — CID 106477375

IUPAC2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC(C)c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C10H14N2S/c1-6(2)9-11-8-5-3-4-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXFTDSJNUOISJPH-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.75
Rot. Bonds1

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

2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477375) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477375
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC(C)c1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C10H14N2S/c1-6(2)9-11-8-5-3-4-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXFTDSJNUOISJPH-UHFFFAOYSA-N
XLogP2.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
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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Related Compounds

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-(2,2,2-Trifluoroethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477354
2-(3,3,3-Trifluoropropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477381
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
1,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-thione
CID 21817975
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2,6-diethyl-5-methyl-1H-pyrimidine-4-thione
CID 94077051
2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476822
5-ethyl-6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106476844

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477375) is 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CC(C)c1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is XFTDSJNUOISJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6(2)9-11-8-5-3-4-7(8)10(13)12-9/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 194.30 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-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).