2-chloro-5-iodopyrimidin-4-amine

C4H3ClIN3 — CID 45036936

IUPAC2-chloro-5-iodopyrimidin-4-amine
SMILESNc1nc(Cl)ncc1I
InChIInChI=1S/C4H3ClIN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
InChIKeyRAMOUFDZSBRIGR-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.32
Rot. Bonds

About 2-chloro-5-iodopyrimidin-4-amine

2-chloro-5-iodopyrimidin-4-amine (PubChem CID 45036936) has the molecular formula C4H3ClIN3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-chloro-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-iodopyrimidin-4-amine
PubChem CID45036936
Molecular FormulaC4H3ClIN3
Molecular Weight255.45 g/mol
Exact Mass254.91
IUPAC Name2-chloro-5-iodopyrimidin-4-amine
SMILESNc1nc(Cl)ncc1I
InChIInChI=1S/C4H3ClIN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
InChIKeyRAMOUFDZSBRIGR-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrimidinamine, 5-chloro-
CID 79479
5-Fluoropyrimidine
CID 69605
4-Aminopyrimidine
CID 68958
5-Chloropyrimidine
CID 12600384
2,4-Dichloro-5-iodopyrimidine
CID 263438
5-Iodopyrimidine
CID 1201421
5-Methylpyrimidin-4-amine
CID 21719209
4-Amino-2-chloropyrimidine-5-carbonitrile
CID 2801166
2-Amino-5-iodopyrimidine
CID 241102
4-Amino-5-bromopyrimidine
CID 10261576
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
2-Chloro-4-aminopyrimidine
CID 345752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodopyrimidin-4-amine?
The IUPAC name of 2-chloro-5-iodopyrimidin-4-amine (CID 45036936) is 2-chloro-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-iodopyrimidin-4-amine is Nc1nc(Cl)ncc1I.
What is the InChIKey of 2-chloro-5-iodopyrimidin-4-amine?
The InChIKey is RAMOUFDZSBRIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClIN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9).
What are the key properties of 2-chloro-5-iodopyrimidin-4-amine?
2-chloro-5-iodopyrimidin-4-amine has a molecular weight of 255.45 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodopyrimidin-4-amine is sourced from PubChem (CID 45036936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).