2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine

C12H11ClFN3 — CID 62342660

IUPAC2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)7-9)16-11-5-6-15-12(13)17-11/h2-8H,1H3,(H,15,16,17)
InChIKeyCEUXIXYTRJNJOQ-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine

2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 62342660) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID62342660
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)7-9)16-11-5-6-15-12(13)17-11/h2-8H,1H3,(H,15,16,17)
InChIKeyCEUXIXYTRJNJOQ-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831253
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine (CID 62342660) is 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine is CC(Nc1ccnc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is CEUXIXYTRJNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-8(9-3-2-4-10(14)7-9)16-11-5-6-15-12(13)17-11/h2-8H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine?
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 62342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).