2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

C11H16N2S — CID 106475340

IUPAC2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-7(2)9-6-11(14)13-10(12-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyFECOLOHKEODCOO-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.22
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475340) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475340
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CC2CC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-7(2)9-6-11(14)13-10(12-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyFECOLOHKEODCOO-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475340) is 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(CC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is FECOLOHKEODCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7(2)9-6-11(14)13-10(12-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).