N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine

C11H15ClIN3 — CID 66318483

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
SMILESClCC1CCCC1CNc1ncncc1I
InChIInChI=1S/C11H15ClIN3/c12-4-8-2-1-3-9(8)5-15-11-10(13)6-14-7-16-11/h6-9H,1-5H2,(H,14,15,16)
InChIKeyQFIHYJNEQHXQEE-UHFFFAOYSA-N
MW351.62 g/mol
LogP3.15
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine

N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine (PubChem CID 66318483) has the molecular formula C11H15ClIN3 and a molecular weight of 351.62 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
PubChem CID66318483
Molecular FormulaC11H15ClIN3
Molecular Weight351.62 g/mol
Exact Mass351.00
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
SMILESClCC1CCCC1CNc1ncncc1I
InChIInChI=1S/C11H15ClIN3/c12-4-8-2-1-3-9(8)5-15-11-10(13)6-14-7-16-11/h6-9H,1-5H2,(H,14,15,16)
InChIKeyQFIHYJNEQHXQEE-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine (CID 66318483) is N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine is ClCC1CCCC1CNc1ncncc1I.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine?
The InChIKey is QFIHYJNEQHXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3/c12-4-8-2-1-3-9(8)5-15-11-10(13)6-14-7-16-11/h6-9H,1-5H2,(H,14,15,16).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine?
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine has a molecular weight of 351.62 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66318483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).