2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C9H10N2S2 — CID 106481610

IUPAC2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CSC2
InChIInChI=1S/C9H10N2S2/c12-9-6-3-13-4-7(6)10-8(11-9)5-1-2-5/h5H,1-4H2,(H,10,11,12)
InChIKeyTUKRJKODWWIIBJ-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.76
Rot. Bonds1

About 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481610) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481610
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CC2)[nH]c2c1CSC2
InChIInChI=1S/C9H10N2S2/c12-9-6-3-13-4-7(6)10-8(11-9)5-1-2-5/h5H,1-4H2,(H,10,11,12)
InChIKeyTUKRJKODWWIIBJ-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.76
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-(2,2,2-trifluoroethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481561
2-(3,3,3-trifluoropropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481587
5,6-dimethyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106476592
5,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476774
5,6-dimethyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106476780
2-(1,4-dithian-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476812
2-methyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481535
2-tert-butyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481536
2-(3-methyl-1,4-dithian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481546
2-propyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481557
2-(3-methylbutyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481562
2-(cyclopropylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481574

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481610) is 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(C2CC2)[nH]c2c1CSC2.
What is the InChIKey of 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is TUKRJKODWWIIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c12-9-6-3-13-4-7(6)10-8(11-9)5-1-2-5/h5H,1-4H2,(H,10,11,12).
What are the key properties of 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 210.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).