2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione

C10H16N2OS — CID 170028072

IUPAC2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione
SMILESCC(C)Oc1cnc(C(C)C)[nH]c1=S
InChIInChI=1S/C10H16N2OS/c1-6(2)9-11-5-8(10(14)12-9)13-7(3)4/h5-7H,1-4H3,(H,11,12,14)
InChIKeyBUHKIUQGDBMPBK-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.05
Rot. Bonds3

About 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione

2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione (PubChem CID 170028072) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione
PubChem CID170028072
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione
SMILESCC(C)Oc1cnc(C(C)C)[nH]c1=S
InChIInChI=1S/C10H16N2OS/c1-6(2)9-11-5-8(10(14)12-9)13-7(3)4/h5-7H,1-4H3,(H,11,12,14)
InChIKeyBUHKIUQGDBMPBK-UHFFFAOYSA-N
XLogP3.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-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-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione?
The IUPAC name of 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione (CID 170028072) is 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione?
The canonical SMILES for 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione is CC(C)Oc1cnc(C(C)C)[nH]c1=S.
What is the InChIKey of 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione?
The InChIKey is BUHKIUQGDBMPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)9-11-5-8(10(14)12-9)13-7(3)4/h5-7H,1-4H3,(H,11,12,14).
What are the key properties of 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione?
2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione has a molecular weight of 212.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-yloxy-1H-pyrimidine-6-thione is sourced from PubChem (CID 170028072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).