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

C10H14N2S — CID 106475374

IUPAC2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-6(2)8-5-9(13)12-10(11-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyUFKPKXUVKQJJMO-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.14
Rot. Bonds2

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

2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475374) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475374
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-6(2)8-5-9(13)12-10(11-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyUFKPKXUVKQJJMO-UHFFFAOYSA-N
XLogP3.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475374) is 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is UFKPKXUVKQJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6(2)8-5-9(13)12-10(11-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione?
2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).