[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine

C12H11F2N3O — CID 83189525

IUPAC[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2cccc(F)c2F)ncc1CN
InChIInChI=1S/C12H11F2N3O/c1-7-8(5-15)6-16-12(17-7)18-10-4-2-3-9(13)11(10)14/h2-4,6H,5,15H2,1H3
InChIKeyOBZCYIVIRMVOSN-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.31
Rot. Bonds3

About [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189525) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189525
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2cccc(F)c2F)ncc1CN
InChIInChI=1S/C12H11F2N3O/c1-7-8(5-15)6-16-12(17-7)18-10-4-2-3-9(13)11(10)14/h2-4,6H,5,15H2,1H3
InChIKeyOBZCYIVIRMVOSN-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
CID 157390984
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
CID 63037258
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83189525) is [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(Oc2cccc(F)c2F)ncc1CN.
What is the InChIKey of [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is OBZCYIVIRMVOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-8(5-15)6-16-12(17-7)18-10-4-2-3-9(13)11(10)14/h2-4,6H,5,15H2,1H3.
What are the key properties of [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 251.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).