(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine

C12H12FN3 — CID 63989151

IUPAC(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
SMILESCc1cc(C(N)c2ccncn2)ccc1F
InChIInChI=1S/C12H12FN3/c1-8-6-9(2-3-10(8)13)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3
InChIKeyRDQMANCXIFJJBX-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.97
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine

(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine (PubChem CID 63989151) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
PubChem CID63989151
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
SMILESCc1cc(C(N)c2ccncn2)ccc1F
InChIInChI=1S/C12H12FN3/c1-8-6-9(2-3-10(8)13)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3
InChIKeyRDQMANCXIFJJBX-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
2-(3-chloro-4-fluorophenyl)-2-pyrimidin-4-ylethanamine
CID 116833688
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine (CID 63989151) is (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine is Cc1cc(C(N)c2ccncn2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine?
The InChIKey is RDQMANCXIFJJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-6-9(2-3-10(8)13)12(14)11-4-5-15-7-16-11/h2-7,12H,14H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine?
(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine has a molecular weight of 217.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 63989151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).