2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione

C13H13N3OS — CID 106520603

IUPAC2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCOc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C13H13N3OS/c1-17-10-4-9(6-14-7-10)11-5-12(18)16-13(15-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,18)
InChIKeyRGLOBNISTOAAAQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.09
Rot. Bonds3

About 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106520603) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106520603
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCOc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C13H13N3OS/c1-17-10-4-9(6-14-7-10)11-5-12(18)16-13(15-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,18)
InChIKeyRGLOBNISTOAAAQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.09
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

6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
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-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
6-(5-propan-2-yloxy-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776980
2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106515306
2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520464
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione (CID 106520603) is 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione is COc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1.
What is the InChIKey of 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is RGLOBNISTOAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-17-10-4-9(6-14-7-10)11-5-12(18)16-13(15-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 259.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).