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

C12H18N2S — CID 106477923

IUPAC6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2(C)CC2)nc(=S)c1C(C)C
InChIInChI=1S/C12H18N2S/c1-7(2)9-8(3)13-11(14-10(9)15)12(4)5-6-12/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMLQVXCQFHFYZTA-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.62
Rot. Bonds2

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

6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477923) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477923
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2(C)CC2)nc(=S)c1C(C)C
InChIInChI=1S/C12H18N2S/c1-7(2)9-8(3)13-11(14-10(9)15)12(4)5-6-12/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMLQVXCQFHFYZTA-UHFFFAOYSA-N
XLogP3.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.62
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-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477923) is 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(C2(C)CC2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is MLQVXCQFHFYZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-7(2)9-8(3)13-11(14-10(9)15)12(4)5-6-12/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).