6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine

C12H10ClF2N3 — CID 63733892

IUPAC6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H10ClF2N3/c1-6-11(13)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H,16,17,18)
InChIKeyMTDMCKAODMEGCI-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.77
Rot. Bonds2

About 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 63733892) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID63733892
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H10ClF2N3/c1-6-11(13)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H,16,17,18)
InChIKeyMTDMCKAODMEGCI-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
4-(2,5-difluoroanilino)-2-methylpyrimidine-5-carbonitrile
CID 112755031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine (CID 63733892) is 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2cc(F)ccc2F)n1.
What is the InChIKey of 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is MTDMCKAODMEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-6-11(13)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 269.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).