1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide

C6H14I2N2 — CID 172820210

IUPAC1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
SMILESCC1=NCCCN1C.I.I
InChIInChI=1S/C6H12N2.2HI/c1-6-7-4-3-5-8(6)2;;/h3-5H2,1-2H3;2*1H
InChIKeyUCWJAQAKHZMGRT-UHFFFAOYSA-N
MW368.00 g/mol
LogP1.98
Rot. Bonds

About 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide

1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide (PubChem CID 172820210) has the molecular formula C6H14I2N2 and a molecular weight of 368.00 g/mol. Its IUPAC name is 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
PubChem CID172820210
Molecular FormulaC6H14I2N2
Molecular Weight368.00 g/mol
Exact Mass367.92
IUPAC Name1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
SMILESCC1=NCCCN1C.I.I
InChIInChI=1S/C6H12N2.2HI/c1-6-7-4-3-5-8(6)2;;/h3-5H2,1-2H3;2*1H
InChIKeyUCWJAQAKHZMGRT-UHFFFAOYSA-N
XLogP1.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.00
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide 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 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide?
The IUPAC name of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide (CID 172820210) is 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide.
What is the SMILES notation for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide?
The canonical SMILES for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide is CC1=NCCCN1C.I.I.
What is the InChIKey of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide?
The InChIKey is UCWJAQAKHZMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2HI/c1-6-7-4-3-5-8(6)2;;/h3-5H2,1-2H3;2*1H.
What are the key properties of 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide?
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide has a molecular weight of 368.00 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide is sourced from PubChem (CID 172820210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).