[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine

C12H12FN3O — CID 114217237

IUPAC[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine
SMILESCc1ccc(Oc2ncncc2CN)cc1F
InChIInChI=1S/C12H12FN3O/c1-8-2-3-10(4-11(8)13)17-12-9(5-14)6-15-7-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyUDGNPNNYGTXELV-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.18
Rot. Bonds3

About [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine

[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine (PubChem CID 114217237) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine
PubChem CID114217237
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine
SMILESCc1ccc(Oc2ncncc2CN)cc1F
InChIInChI=1S/C12H12FN3O/c1-8-2-3-10(4-11(8)13)17-12-9(5-14)6-15-7-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyUDGNPNNYGTXELV-UHFFFAOYSA-N
XLogP2.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
CID 107171811
2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine (CID 114217237) is [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine is Cc1ccc(Oc2ncncc2CN)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine?
The InChIKey is UDGNPNNYGTXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-2-3-10(4-11(8)13)17-12-9(5-14)6-15-7-16-12/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine?
[4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methylphenoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114217237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).