5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C12H12ClFN4 — CID 80816956

IUPAC5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-15-12-16-7-10(13)11(17-12)18(2)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)
InChIKeyDPPRIQCTFPBLEC-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.08
Rot. Bonds3

About 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80816956) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80816956
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4/c1-15-12-16-7-10(13)11(17-12)18(2)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17)
InChIKeyDPPRIQCTFPBLEC-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
4-N-(4-chloro-3-methoxyphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 121475858
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80816956) is 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DPPRIQCTFPBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-15-12-16-7-10(13)11(17-12)18(2)9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).