6-chloro-5-iodo-N-methylpyrimidin-4-amine

C5H5ClIN3 — CID 99983607

IUPAC6-chloro-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Cl)c1I
InChIInChI=1S/C5H5ClIN3/c1-8-5-3(7)4(6)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyXHNDBSYHGCCVSV-UHFFFAOYSA-N
MW269.47 g/mol
LogP1.78
Rot. Bonds1

About 6-chloro-5-iodo-N-methylpyrimidin-4-amine

6-chloro-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 99983607) has the molecular formula C5H5ClIN3 and a molecular weight of 269.47 g/mol. Its IUPAC name is 6-chloro-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-iodo-N-methylpyrimidin-4-amine
PubChem CID99983607
Molecular FormulaC5H5ClIN3
Molecular Weight269.47 g/mol
Exact Mass268.92
IUPAC Name6-chloro-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Cl)c1I
InChIInChI=1S/C5H5ClIN3/c1-8-5-3(7)4(6)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyXHNDBSYHGCCVSV-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-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

Related Compounds

5,6-Dichloro-pyrimidin-4-ylamine
CID 24219262
6-chloro-N-methylpyrimidin-4-amine
CID 309479
6-chloro-N4-methylpyrimidine-4,5-diamine
CID 308477
4,6-Pyrimidinediamine, 5-iodo-
CID 11310900
6-Chloro-5-iodopyrimidin-4-amine
CID 46855833
5-Bromo-6-chloropyrimidin-4-amine
CID 45789713
4-N-butyl-6-chloro-5-iodopyrimidine-2,4-diamine
CID 135271024
6-Chloro-5-methylpyrimidin-4-amine
CID 21934626
6-Chloro-5-fluoropyrimidin-4-amine
CID 53487969
5-bromo-6-chloro-N-methylpyrimidin-4-amine
CID 91758969
5-chloro-N4,N4-dimethylpyrimidine-4,6-diamine
CID 108181358
5,6-difluoro-N-methylpyrimidin-4-amine
CID 54285406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-iodo-N-methylpyrimidin-4-amine (CID 99983607) is 6-chloro-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-iodo-N-methylpyrimidin-4-amine is CNc1ncnc(Cl)c1I.
What is the InChIKey of 6-chloro-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is XHNDBSYHGCCVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClIN3/c1-8-5-3(7)4(6)9-2-10-5/h2H,1H3,(H,8,9,10).
What are the key properties of 6-chloro-5-iodo-N-methylpyrimidin-4-amine?
6-chloro-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 269.47 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 99983607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).