2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine

C12H11ClFN3 — CID 114454535

IUPAC2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyVIRCEPMHVFZROD-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.37
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine

2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 114454535) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID114454535
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyVIRCEPMHVFZROD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 62201542
2-(3-bromo-4-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 82801474
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
CID 136813753
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
2-[4-[(dimethylamino)methyl]phenyl]-N-ethylpyrimidin-4-amine
CID 74234866
2-(3-chloro-5-fluorophenyl)-4-fluoropyridine
CID 102824538
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethylpyrimidin-4-amine
CID 71267221
6-tert-butyl-2-(3,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63486811

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine (CID 114454535) is 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is VIRCEPMHVFZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine?
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 114454535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).