N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine

C10H13ClFN3 — CID 104606693

IUPACN-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2(CCl)CCCC2)nc1
InChIInChI=1S/C10H13ClFN3/c11-7-10(3-1-2-4-10)15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15)
InChIKeyYNXRUAUTZJLWJN-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine

N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine (PubChem CID 104606693) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine
PubChem CID104606693
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2(CCl)CCCC2)nc1
InChIInChI=1S/C10H13ClFN3/c11-7-10(3-1-2-4-10)15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15)
InChIKeyYNXRUAUTZJLWJN-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine (CID 104606693) is N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NC2(CCl)CCCC2)nc1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine?
The InChIKey is YNXRUAUTZJLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c11-7-10(3-1-2-4-10)15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine?
N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine has a molecular weight of 229.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).