3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione

C10H16N2S — CID 25232154

IUPAC3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1C1CC1
InChIInChI=1S/C10H16N2S/c1-7-6-10(2,3)11-9(13)12(7)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,11,13)
InChIKeyRMRXTMHDVSZTNA-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.02
Rot. Bonds1

About 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione

3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione (PubChem CID 25232154) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione
PubChem CID25232154
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1C1CC1
InChIInChI=1S/C10H16N2S/c1-7-6-10(2,3)11-9(13)12(7)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,11,13)
InChIKeyRMRXTMHDVSZTNA-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione?
The IUPAC name of 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione (CID 25232154) is 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione?
The canonical SMILES for 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione is CC1=CC(C)(C)NC(=S)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione?
The InChIKey is RMRXTMHDVSZTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-6-10(2,3)11-9(13)12(7)8-4-5-8/h6,8H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione?
3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,6,6-trimethyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 25232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).