5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

C12H11F2N3 — CID 66000568

IUPAC5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccccc2F)nc(N)c1F
InChIInChI=1S/C12H11F2N3/c1-7-11(14)12(15)17-10(16-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyUKZJHNXUZXTKAQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.24
Rot. Bonds2

About 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 66000568) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID66000568
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1nc(Cc2ccccc2F)nc(N)c1F
InChIInChI=1S/C12H11F2N3/c1-7-11(14)12(15)17-10(16-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyUKZJHNXUZXTKAQ-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 66000765
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 55114856
5-bromo-2-[(2-fluorophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66307477
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683227
methyl 4-amino-2-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647642
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (CID 66000568) is 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is Cc1nc(Cc2ccccc2F)nc(N)c1F.
What is the InChIKey of 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is UKZJHNXUZXTKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-7-11(14)12(15)17-10(16-7)6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 235.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).