2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

C16H18IN3 — CID 66299871

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(C2Cc3ccccc3C2)nc(NC)c1I
InChIInChI=1S/C16H18IN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyCQRIQROSNMMIHN-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.57
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66299871) has the molecular formula C16H18IN3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66299871
Molecular FormulaC16H18IN3
Molecular Weight379.25 g/mol
Exact Mass379.05
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(C2Cc3ccccc3C2)nc(NC)c1I
InChIInChI=1S/C16H18IN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyCQRIQROSNMMIHN-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine 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-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (CID 66299871) is 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is CCc1nc(C2Cc3ccccc3C2)nc(NC)c1I.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is CQRIQROSNMMIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3/c1-3-13-14(17)16(18-2)20-15(19-13)12-8-10-6-4-5-7-11(10)9-12/h4-7,12H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 379.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66299871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).