1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine

C11H16ClN3 — CID 65026218

IUPAC1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCc2ncccn2)CCCC1
InChIInChI=1S/C11H16ClN3/c12-9-11(4-1-2-5-11)15-8-10-13-6-3-7-14-10/h3,6-7,15H,1-2,4-5,8-9H2
InChIKeyWAJVUCQCATYCRB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.12
Rot. Bonds4

About 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 65026218) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
PubChem CID65026218
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
SMILESClCC1(NCc2ncccn2)CCCC1
InChIInChI=1S/C11H16ClN3/c12-9-11(4-1-2-5-11)15-8-10-13-6-3-7-14-10/h3,6-7,15H,1-2,4-5,8-9H2
InChIKeyWAJVUCQCATYCRB-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[Cyclobutyl(pyrimidin-2-yl)methyl](methyl)amine
CID 116490109
2-Cyclohexyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride
CID 145867387
2-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine
CID 99834656
2-Cyclohexyl-1-(pyrimidin-2-yl)ethan-1-amine
CID 54593473
N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine
CID 104606693
N-(Cyclopentylmethyl)-2-pyrimidinamine
CID 43317116
Cyclopentyl(pyrimidin-2-yl)methanamine
CID 56828355
cis-(1S,3R)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine
CID 69481549
cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine
CID 69483172
2-Piperidin-4-yl-1-pyrimidin-2-ylethanamine
CID 69642479
2-Cyclopentyl-4-(piperazin-1-yl)pyrimidine
CID 84141462
1-Pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 117604133

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine (CID 65026218) is 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine is ClCC1(NCc2ncccn2)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is WAJVUCQCATYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-11(4-1-2-5-11)15-8-10-13-6-3-7-14-10/h3,6-7,15H,1-2,4-5,8-9H2.
What are the key properties of 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 65026218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).