[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine

C13H13ClFN3 — CID 82806244

IUPAC[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3/c1-8-5-10(7-16)18-12(17-8)6-9-3-2-4-11(14)13(9)15/h2-5H,6-7,16H2,1H3
InChIKeyMYNDWUOTYOTVNK-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.63
Rot. Bonds3

About [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine

[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine (PubChem CID 82806244) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
PubChem CID82806244
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3/c1-8-5-10(7-16)18-12(17-8)6-9-3-2-4-11(14)13(9)15/h2-5H,6-7,16H2,1H3
InChIKeyMYNDWUOTYOTVNK-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine (CID 82806244) is [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is MYNDWUOTYOTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8-5-10(7-16)18-12(17-8)6-9-3-2-4-11(14)13(9)15/h2-5H,6-7,16H2,1H3.
What are the key properties of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine?
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 82806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).