3-methoxy-N-(pyrimidin-2-ylmethyl)aniline

C12H13N3O — CID 62698211

IUPAC3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
SMILESCOc1cccc(NCc2ncccn2)c1
InChIInChI=1S/C12H13N3O/c1-16-11-5-2-4-10(8-11)15-9-12-13-6-3-7-14-12/h2-8,15H,9H2,1H3
InChIKeyRTLKJTZVKYGEQC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds4

About 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline

3-methoxy-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62698211) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62698211
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
SMILESCOc1cccc(NCc2ncccn2)c1
InChIInChI=1S/C12H13N3O/c1-16-11-5-2-4-10(8-11)15-9-12-13-6-3-7-14-12/h2-8,15H,9H2,1H3
InChIKeyRTLKJTZVKYGEQC-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
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N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
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N-[(2-chlorophenyl)methyl]-3-methoxyaniline
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N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
CID 113367561

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline (CID 62698211) is 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline is COc1cccc(NCc2ncccn2)c1.
What is the InChIKey of 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is RTLKJTZVKYGEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-5-2-4-10(8-11)15-9-12-13-6-3-7-14-12/h2-8,15H,9H2,1H3.
What are the key properties of 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline?
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 215.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62698211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).