3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline

C16H21N3O — CID 62749146

IUPAC3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2ccnc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-4-12(2)20-16-7-5-6-14(10-16)18-11-15-8-9-17-13(3)19-15/h5-10,12,18H,4,11H2,1-3H3
InChIKeyFGNQSXAAUWNZSJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.57
Rot. Bonds6

About 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline

3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 62749146) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
PubChem CID62749146
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCCC(C)Oc1cccc(NCc2ccnc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-4-12(2)20-16-7-5-6-14(10-16)18-11-15-8-9-17-13(3)19-15/h5-10,12,18H,4,11H2,1-3H3
InChIKeyFGNQSXAAUWNZSJ-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79794177
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline (CID 62749146) is 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline is CCC(C)Oc1cccc(NCc2ccnc(C)n2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is FGNQSXAAUWNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12(2)20-16-7-5-6-14(10-16)18-11-15-8-9-17-13(3)19-15/h5-10,12,18H,4,11H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 62749146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).