1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine

C12H12FN3O — CID 113388358

IUPAC1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C12H12FN3O/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyPDAKYLAKBFBLGE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 113388358) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID113388358
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C12H12FN3O/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3
InChIKeyPDAKYLAKBFBLGE-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122303161
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294818
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine (CID 113388358) is 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is PDAKYLAKBFBLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-6-9-7-15-12(16-8-9)17-11-5-3-2-4-10(11)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 233.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113388358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).