5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione

C11H18N2S — CID 106517865

IUPAC5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1c(C(C)C)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C11H18N2S/c1-6(2)9-8(5)11(14)13-10(12-9)7(3)4/h6-7H,1-5H3,(H,12,13,14)
InChIKeyOFDPACJCEMKPLA-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.69
Rot. Bonds2

About 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione

5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106517865) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106517865
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1c(C(C)C)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C11H18N2S/c1-6(2)9-8(5)11(14)13-10(12-9)7(3)4/h6-7H,1-5H3,(H,12,13,14)
InChIKeyOFDPACJCEMKPLA-UHFFFAOYSA-N
XLogP3.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.69
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 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione (CID 106517865) is 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione is Cc1c(C(C)C)[nH]c(C(C)C)nc1=S.
What is the InChIKey of 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is OFDPACJCEMKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-6(2)9-8(5)11(14)13-10(12-9)7(3)4/h6-7H,1-5H3,(H,12,13,14).
What are the key properties of 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione?
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 210.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).