4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine

C12H11ClFN3 — CID 163242788

IUPAC4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cccc(C)c1-c1nc(N)nc(Cl)c1F
InChIInChI=1S/C12H11ClFN3/c1-6-4-3-5-7(2)8(6)10-9(14)11(13)17-12(15)16-10/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyFTJIACFTUZJLPF-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine

4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine (PubChem CID 163242788) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine
PubChem CID163242788
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cccc(C)c1-c1nc(N)nc(Cl)c1F
InChIInChI=1S/C12H11ClFN3/c1-6-4-3-5-7(2)8(6)10-9(14)11(13)17-12(15)16-10/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyFTJIACFTUZJLPF-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine (CID 163242788) is 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine is Cc1cccc(C)c1-c1nc(N)nc(Cl)c1F.
What is the InChIKey of 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The InChIKey is FTJIACFTUZJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-6-4-3-5-7(2)8(6)10-9(14)11(13)17-12(15)16-10/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine?
4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 163242788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).