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

C11H15ClFN3 — CID 104606700

IUPACN-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2(CCl)CCCCC2)nc1
InChIInChI=1S/C11H15ClFN3/c12-8-11(4-2-1-3-5-11)16-10-14-6-9(13)7-15-10/h6-7H,1-5,8H2,(H,14,15,16)
InChIKeyQVWFSMGGKQGPDP-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.97
Rot. Bonds3

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

N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine (PubChem CID 104606700) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine
PubChem CID104606700
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC2(CCl)CCCCC2)nc1
InChIInChI=1S/C11H15ClFN3/c12-8-11(4-2-1-3-5-11)16-10-14-6-9(13)7-15-10/h6-7H,1-5,8H2,(H,14,15,16)
InChIKeyQVWFSMGGKQGPDP-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.97
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)cyclohexyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine (CID 104606700) is N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NC2(CCl)CCCCC2)nc1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine?
The InChIKey is QVWFSMGGKQGPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c12-8-11(4-2-1-3-5-11)16-10-14-6-9(13)7-15-10/h6-7H,1-5,8H2,(H,14,15,16).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine?
N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine has a molecular weight of 243.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).