(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine

C13H14FN3 — CID 106883516

IUPAC(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
SMILESCc1cc(C)c(C(N)c2cncnc2)c(F)c1
InChIInChI=1S/C13H14FN3/c1-8-3-9(2)12(11(14)4-8)13(15)10-5-16-7-17-6-10/h3-7,13H,15H2,1-2H3
InChIKeyBXYISFPUDXZISO-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.28
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine

(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine (PubChem CID 106883516) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
PubChem CID106883516
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
SMILESCc1cc(C)c(C(N)c2cncnc2)c(F)c1
InChIInChI=1S/C13H14FN3/c1-8-3-9(2)12(11(14)4-8)13(15)10-5-16-7-17-6-10/h3-7,13H,15H2,1-2H3
InChIKeyBXYISFPUDXZISO-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228
di(pyrimidin-5-yl)methanamine
CID 102923336
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine (CID 106883516) is (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine is Cc1cc(C)c(C(N)c2cncnc2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is BXYISFPUDXZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8-3-9(2)12(11(14)4-8)13(15)10-5-16-7-17-6-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine?
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 106883516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).