1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine

C15H19N3O — CID 62699406

IUPAC1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2ncccn2)c1
InChIInChI=1S/C15H19N3O/c1-2-13(16)9-12-5-3-6-14(10-12)19-11-15-17-7-4-8-18-15/h3-8,10,13H,2,9,11,16H2,1H3
InChIKeyCCDRBNCKHHEXOQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds6

About 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine

1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 62699406) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID62699406
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2ncccn2)c1
InChIInChI=1S/C15H19N3O/c1-2-13(16)9-12-5-3-6-14(10-12)19-11-15-17-7-4-8-18-15/h3-8,10,13H,2,9,11,16H2,1H3
InChIKeyCCDRBNCKHHEXOQ-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine 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

1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine (CID 62699406) is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCc2ncccn2)c1.
What is the InChIKey of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is CCDRBNCKHHEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-13(16)9-12-5-3-6-14(10-12)19-11-15-17-7-4-8-18-15/h3-8,10,13H,2,9,11,16H2,1H3.
What are the key properties of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine?
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 62699406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).