N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine

C11H16ClN3 — CID 106365543

IUPACN-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCCC2CCl)nc1
InChIInChI=1S/C11H16ClN3/c1-8-6-13-11(14-7-8)15-10-4-2-3-9(10)5-12/h6-7,9-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyWSVIDDQPXQLVHG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.60
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine

N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine (PubChem CID 106365543) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
PubChem CID106365543
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCCC2CCl)nc1
InChIInChI=1S/C11H16ClN3/c1-8-6-13-11(14-7-8)15-10-4-2-3-9(10)5-12/h6-7,9-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyWSVIDDQPXQLVHG-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.60
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

N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
CID 106365718
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
5-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103858164
N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
CID 106365406
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
N-[2-(chloromethyl)cyclopentyl]-2-methylpyrimidin-4-amine
CID 106365424
5-methyl-N-(2-methylcyclopropyl)pyrimidin-2-amine
CID 63208440
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
CID 106365501
5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
CID 106365396
N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106365704
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine (CID 106365543) is N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC2CCCC2CCl)nc1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine?
The InChIKey is WSVIDDQPXQLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-6-13-11(14-7-8)15-10-4-2-3-9(10)5-12/h6-7,9-10H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 106365543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).