6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione

C14H16N2S — CID 106475639

IUPAC6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)(C)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2S/c1-10-9-12(17)16-13(15-10)14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyDMPOTTXPXYHUKR-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.77
Rot. Bonds2

About 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione

6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475639) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475639
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)(C)c2ccccc2)[nH]1
InChIInChI=1S/C14H16N2S/c1-10-9-12(17)16-13(15-10)14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyDMPOTTXPXYHUKR-UHFFFAOYSA-N
XLogP3.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.77
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 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione (CID 106475639) is 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C(C)(C)c2ccccc2)[nH]1.
What is the InChIKey of 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is DMPOTTXPXYHUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-9-12(17)16-13(15-10)14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 244.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).