N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine

C11H8F3N3 — CID 103586880

IUPACN-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(F)c(Nc2cc(F)ncn2)cc1F
InChIInChI=1S/C11H8F3N3/c1-6-2-8(13)9(3-7(6)12)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyNZHUTMNSHKIOLR-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.95
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine

N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 103586880) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID103586880
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(F)c(Nc2cc(F)ncn2)cc1F
InChIInChI=1S/C11H8F3N3/c1-6-2-8(13)9(3-7(6)12)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17)
InChIKeyNZHUTMNSHKIOLR-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564728
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 103587925
N-(2,4-dibromophenyl)-6-fluoropyrimidin-4-amine
CID 115416669
6-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103587849
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine (CID 103586880) is N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine is Cc1cc(F)c(Nc2cc(F)ncn2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is NZHUTMNSHKIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c1-6-2-8(13)9(3-7(6)12)17-11-4-10(14)15-5-16-11/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine?
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 239.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 103586880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).