2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

C13H13N3S — CID 106518933

IUPAC2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1ccncc1-c1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C13H13N3S/c1-8-4-5-14-7-10(8)11-6-12(17)16-13(15-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16,17)
InChIKeyJROFVLVRULGRNW-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.39
Rot. Bonds2

About 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106518933) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106518933
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1ccncc1-c1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C13H13N3S/c1-8-4-5-14-7-10(8)11-6-12(17)16-13(15-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16,17)
InChIKeyJROFVLVRULGRNW-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.39
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-methyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518927
6-(4-methyl-3-pyridinyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106518926
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
CID 106519261
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
6-(1-benzothiophen-7-yl)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 106519826
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
6-(2-methylpropyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106481332

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (CID 106518933) is 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is Cc1ccncc1-c1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is JROFVLVRULGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-8-4-5-14-7-10(8)11-6-12(17)16-13(15-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 243.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).