4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline

C14H17N3O — CID 62699532

IUPAC4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
SMILESCC(C)Oc1ccc(NCc2ncccn2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)18-13-6-4-12(5-7-13)17-10-14-15-8-3-9-16-14/h3-9,11,17H,10H2,1-2H3
InChIKeyZSDUMEFICMTSJA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds5

About 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline

4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62699532) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62699532
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
SMILESCC(C)Oc1ccc(NCc2ncccn2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)18-13-6-4-12(5-7-13)17-10-14-15-8-3-9-16-14/h3-9,11,17H,10H2,1-2H3
InChIKeyZSDUMEFICMTSJA-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroethoxy)-N-(pyrimidin-2-ylmethyl)aniline
CID 167970725
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
CID 62743816
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43782408
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline (CID 62699532) is 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline is CC(C)Oc1ccc(NCc2ncccn2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is ZSDUMEFICMTSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)18-13-6-4-12(5-7-13)17-10-14-15-8-3-9-16-14/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline?
4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62699532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).