6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine

C13H13ClFN3 — CID 63728003

IUPAC6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)c2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3/c1-8-12(14)16-9(2)17-13(8)18(3)11-7-5-4-6-10(11)15/h4-7H,1-3H3
InChIKeyAAOPLSJOWHFZSC-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.65
Rot. Bonds2

About 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine

6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 63728003) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID63728003
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)c2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3/c1-8-12(14)16-9(2)17-13(8)18(3)11-7-5-4-6-10(11)15/h4-7H,1-3H3
InChIKeyAAOPLSJOWHFZSC-UHFFFAOYSA-N
XLogP3.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076539
4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80818514
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 83156953
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875
6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine
CID 63734032
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80908250
2-(bromomethyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 107082621
5-chloro-6-fluoro-1-N-(2-fluorophenyl)-1-N-methylbenzene-1,2,4-triamine
CID 103552991

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine (CID 63728003) is 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)c2ccccc2F)n1.
What is the InChIKey of 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is AAOPLSJOWHFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8-12(14)16-9(2)17-13(8)18(3)11-7-5-4-6-10(11)15/h4-7H,1-3H3.
What are the key properties of 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine?
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 63728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).