5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine

C12H11ClFN3 — CID 11644513

IUPAC5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
SMILESCC(F)c1ncnc(Nc2ccccc2)c1Cl
InChIInChI=1S/C12H11ClFN3/c1-8(14)11-10(13)12(16-7-15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)
InChIKeyCWVHFIQMAMXKPV-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.90
Rot. Bonds3

About 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine

5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine (PubChem CID 11644513) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
PubChem CID11644513
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
SMILESCC(F)c1ncnc(Nc2ccccc2)c1Cl
InChIInChI=1S/C12H11ClFN3/c1-8(14)11-10(13)12(16-7-15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)
InChIKeyCWVHFIQMAMXKPV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amino]benzonitrile
CID 11565348
5-chloro-6-(1-fluoroethyl)-N-(4-phenylbut-3-ynyl)pyrimidin-4-amine
CID 67890349
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
CID 11948553
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
4-chloro-N-phenylisoquinolin-3-amine
CID 91102388
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
CID 172636149
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
7,8-difluoro-N-phenylquinazolin-4-amine
CID 166377180
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine (CID 11644513) is 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine is CC(F)c1ncnc(Nc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine?
The InChIKey is CWVHFIQMAMXKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-8(14)11-10(13)12(16-7-15-11)17-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17).
What are the key properties of 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine?
5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 11644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).