N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine

C10H13ClIN3 — CID 106123816

IUPACN-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
SMILESClC1CCC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C10H13ClIN3/c11-8-2-1-7(3-8)4-13-10-14-5-9(12)6-15-10/h5-8H,1-4H2,(H,13,14,15)
InChIKeyIGGDZIQPFNNELQ-UHFFFAOYSA-N
MW337.59 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine

N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine (PubChem CID 106123816) has the molecular formula C10H13ClIN3 and a molecular weight of 337.59 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
PubChem CID106123816
Molecular FormulaC10H13ClIN3
Molecular Weight337.59 g/mol
Exact Mass336.98
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
SMILESClC1CCC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C10H13ClIN3/c11-8-2-1-7(3-8)4-13-10-14-5-9(12)6-15-10/h5-8H,1-4H2,(H,13,14,15)
InChIKeyIGGDZIQPFNNELQ-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 52.90
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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Related Compounds

N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
CID 116649643
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
N-[(3-chlorocyclopentyl)methyl]-1,2,4-benzotriazin-3-amine
CID 114146607
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
N-[(3-aminocyclopentyl)methyl]-5-fluoropyrimidin-2-amine
CID 106126495
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
CID 106124022

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine (CID 106123816) is N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine is ClC1CCC(CNc2ncc(I)cn2)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine?
The InChIKey is IGGDZIQPFNNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN3/c11-8-2-1-7(3-8)4-13-10-14-5-9(12)6-15-10/h5-8H,1-4H2,(H,13,14,15).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine?
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine has a molecular weight of 337.59 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 106123816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).