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

C15H18FN3O2 — CID 102951792

IUPACN-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O2/c1-4-17-15(12-8-14(21-3)19-9-18-12)10-5-6-13(20-2)11(16)7-10/h5-9,15,17H,4H2,1-3H3
InChIKeyYTYAWZWMJXAGRG-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.33
Rot. Bonds6

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

N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (PubChem CID 102951792) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
PubChem CID102951792
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O2/c1-4-17-15(12-8-14(21-3)19-9-18-12)10-5-6-13(20-2)11(16)7-10/h5-9,15,17H,4H2,1-3H3
InChIKeyYTYAWZWMJXAGRG-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-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine (CID 102951792) is N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(F)c1)c1cc(OC)ncn1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
The InChIKey is YTYAWZWMJXAGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-4-17-15(12-8-14(21-3)19-9-18-12)10-5-6-13(20-2)11(16)7-10/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine?
N-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 102951792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).