3-[(6-methylpyrimidin-4-yl)methyl]aniline

C12H13N3 — CID 82469362

IUPAC3-[(6-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1cc(Cc2cccc(N)c2)ncn1
InChIInChI=1S/C12H13N3/c1-9-5-12(15-8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7,13H2,1H3
InChIKeyVINBVZABJIUVGS-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.96
Rot. Bonds2

About 3-[(6-methylpyrimidin-4-yl)methyl]aniline

3-[(6-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 82469362) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[(6-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(6-methylpyrimidin-4-yl)methyl]aniline
PubChem CID82469362
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-[(6-methylpyrimidin-4-yl)methyl]aniline
SMILESCc1cc(Cc2cccc(N)c2)ncn1
InChIInChI=1S/C12H13N3/c1-9-5-12(15-8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7,13H2,1H3
InChIKeyVINBVZABJIUVGS-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(6-methylpyrimidin-4-yl)ethyl]aniline
CID 82471038
3-[(6-methylpyrimidin-4-yl)methyl]benzoic acid
CID 174477949
4-[3-(6-methylpyrimidin-4-yl)propyl]aniline
CID 82473758
3-[(2-methylphenyl)methyl]aniline
CID 116925822
4,6-dibenzylpyrimidine
CID 59375742
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4-benzyl-6-methylpyrimidin-2-amine
CID 45071696
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
4-(2,2-dimethylpropyl)-6-methylpyrimidine
CID 67153927
3-(1H-pyrazol-5-ylmethyl)aniline
CID 96630636
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 3-[(6-methylpyrimidin-4-yl)methyl]aniline (CID 82469362) is 3-[(6-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 3-[(6-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 3-[(6-methylpyrimidin-4-yl)methyl]aniline is Cc1cc(Cc2cccc(N)c2)ncn1.
What is the InChIKey of 3-[(6-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is VINBVZABJIUVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-5-12(15-8-14-9)7-10-3-2-4-11(13)6-10/h2-6,8H,7,13H2,1H3.
What are the key properties of 3-[(6-methylpyrimidin-4-yl)methyl]aniline?
3-[(6-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 199.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 82469362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).