N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

C15H18FN3O2 — CID 102951729

IUPACN-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FN3O2/c1-4-17-15(11-8-13(21-3)19-9-18-11)10-6-5-7-12(20-2)14(10)16/h5-9,15,17H,4H2,1-3H3
InChIKeyPXOUCEFSUXEYNI-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.33
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine

N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951729) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951729
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ncn1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FN3O2/c1-4-17-15(11-8-13(21-3)19-9-18-11)10-6-5-7-12(20-2)14(10)16/h5-9,15,17H,4H2,1-3H3
InChIKeyPXOUCEFSUXEYNI-UHFFFAOYSA-N
XLogP2.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951699
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951729) is N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1cc(OC)ncn1)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is PXOUCEFSUXEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-17-15(11-8-13(21-3)19-9-18-11)10-6-5-7-12(20-2)14(10)16/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine has a molecular weight of 291.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).