3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline

C14H17N3O — CID 82478145

IUPAC3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
SMILESCC(C)c1ccnc(COc2cccc(N)c2)n1
InChIInChI=1S/C14H17N3O/c1-10(2)13-6-7-16-14(17-13)9-18-12-5-3-4-11(15)8-12/h3-8,10H,9,15H2,1-2H3
InChIKeyMBTRGBRCDYZXPD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds4

About 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline

3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline (PubChem CID 82478145) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
PubChem CID82478145
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
SMILESCC(C)c1ccnc(COc2cccc(N)c2)n1
InChIInChI=1S/C14H17N3O/c1-10(2)13-6-7-16-14(17-13)9-18-12-5-3-4-11(15)8-12/h3-8,10H,9,15H2,1-2H3
InChIKeyMBTRGBRCDYZXPD-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-aminopyrimidin-2-yl)methoxy]phenol
CID 105470749
3-(isoquinolin-3-ylmethoxy)aniline
CID 139970674
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
3-(2-chloro-6-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 95928679
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65134780
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154
3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline
CID 65336796

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline?
The IUPAC name of 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline (CID 82478145) is 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline is CC(C)c1ccnc(COc2cccc(N)c2)n1.
What is the InChIKey of 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline?
The InChIKey is MBTRGBRCDYZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)13-6-7-16-14(17-13)9-18-12-5-3-4-11(15)8-12/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline?
3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline is sourced from PubChem (CID 82478145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).