N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

C11H12IN5 — CID 66307314

IUPACN-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccncn2)nc(C)c1I
InChIInChI=1S/C11H12IN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-4-5-13-6-15-8/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyLZLWNMHTRXYWCE-UHFFFAOYSA-N
MW341.16 g/mol
LogP2.28
Rot. Bonds3

About N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine

N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 66307314) has the molecular formula C11H12IN5 and a molecular weight of 341.16 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID66307314
Molecular FormulaC11H12IN5
Molecular Weight341.16 g/mol
Exact Mass341.01
IUPAC NameN-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccncn2)nc(C)c1I
InChIInChI=1S/C11H12IN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-4-5-13-6-15-8/h4-6H,3H2,1-2H3,(H,14,16,17)
InChIKeyLZLWNMHTRXYWCE-UHFFFAOYSA-N
XLogP2.28
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-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

Related Compounds

5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307294
N-ethyl-5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988987
N,5,6-trimethyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984848
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984866
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
5-iodo-6-(methoxymethyl)-N-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66302829
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 114206436
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine (CID 66307314) is N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is CCNc1nc(-c2ccncn2)nc(C)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is LZLWNMHTRXYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5/c1-3-14-11-9(12)7(2)16-10(17-11)8-4-5-13-6-15-8/h4-6H,3H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine?
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 341.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66307314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).