N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline

C15H19N3O — CID 62748401

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCc1ccnc(C)n1
InChIInChI=1S/C15H19N3O/c1-3-10-19-15-7-5-4-6-14(15)17-11-13-8-9-16-12(2)18-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyVBVSDKATQDAKRP-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.19
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline

N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline (PubChem CID 62748401) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
PubChem CID62748401
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
SMILESCCCOc1ccccc1NCc1ccnc(C)n1
InChIInChI=1S/C15H19N3O/c1-3-10-19-15-7-5-4-6-14(15)17-11-13-8-9-16-12(2)18-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyVBVSDKATQDAKRP-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
4-fluoro-1-N-[(2-methylpyrimidin-4-yl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592969
2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
CID 62749101
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
3-[(2-propoxyanilino)methyl]phenol
CID 43682286

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline (CID 62748401) is N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline is CCCOc1ccccc1NCc1ccnc(C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline?
The InChIKey is VBVSDKATQDAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10-19-15-7-5-4-6-14(15)17-11-13-8-9-16-12(2)18-13/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline?
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline has a molecular weight of 257.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline is sourced from PubChem (CID 62748401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).