6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione

C11H10N4S — CID 106478421

IUPAC6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ccncn2)n1
InChIInChI=1S/C11H10N4S/c16-10-5-9(7-1-2-7)14-11(15-10)8-3-4-12-6-13-8/h3-7H,1-2H2,(H,14,15,16)
InChIKeyJYFZFBKNBLHZFC-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.47
Rot. Bonds2

About 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione

6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106478421) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
PubChem CID106478421
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ccncn2)n1
InChIInChI=1S/C11H10N4S/c16-10-5-9(7-1-2-7)14-11(15-10)8-3-4-12-6-13-8/h3-7H,1-2H2,(H,14,15,16)
InChIKeyJYFZFBKNBLHZFC-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478379
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
6-(methoxymethyl)-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
CID 106477664
4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine
CID 151889489
6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopropyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 106478359
6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione
CID 106481860
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione (CID 106478421) is 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(-c2ccncn2)n1.
What is the InChIKey of 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is JYFZFBKNBLHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c16-10-5-9(7-1-2-7)14-11(15-10)8-3-4-12-6-13-8/h3-7H,1-2H2,(H,14,15,16).
What are the key properties of 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione?
6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 230.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).