N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine

C11H9ClFN3 — CID 104606690

IUPACN-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(CCl)cc2)nc1
InChIInChI=1S/C11H9ClFN3/c12-5-8-1-3-10(4-2-8)16-11-14-6-9(13)7-15-11/h1-4,6-7H,5H2,(H,14,15,16)
InChIKeyASJZBOZHXZLTQM-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.10
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine

N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine (PubChem CID 104606690) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine
PubChem CID104606690
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC NameN-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(CCl)cc2)nc1
InChIInChI=1S/C11H9ClFN3/c12-5-8-1-3-10(4-2-8)16-11-14-6-9(13)7-15-11/h1-4,6-7H,5H2,(H,14,15,16)
InChIKeyASJZBOZHXZLTQM-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.10
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

2-[4-[(5-fluoropyrimidin-2-yl)amino]phenyl]-1-piperazin-1-ylethanone
CID 175815878
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
N-[4-(chloromethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 65029057
N-[4-(chloromethyl)phenyl]-2-methylpyrimidin-4-amine
CID 65029159
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
CID 116974942
2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
CID 166471236
N-[4-(chloromethyl)phenyl]quinolin-4-amine
CID 65029423
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
CID 70538509
12-[4-(chloromethyl)anilino]-7-(2,6-dichlorophenyl)-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-one
CID 176630106

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine (CID 104606690) is N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine is Fc1cnc(Nc2ccc(CCl)cc2)nc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine?
The InChIKey is ASJZBOZHXZLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-5-8-1-3-10(4-2-8)16-11-14-6-9(13)7-15-11/h1-4,6-7H,5H2,(H,14,15,16).
What are the key properties of N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine?
N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine has a molecular weight of 237.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).