2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline

C17H15N3O — CID 62758918

IUPAC2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
SMILESc1ccc(Oc2ccccc2NCc2ccncn2)cc1
InChIInChI=1S/C17H15N3O/c1-2-6-15(7-3-1)21-17-9-5-4-8-16(17)19-12-14-10-11-18-13-20-14/h1-11,13,19H,12H2
InChIKeyPZMNMNKKWRQHPV-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.88
Rot. Bonds5

About 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline

2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline (PubChem CID 62758918) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
PubChem CID62758918
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
SMILESc1ccc(Oc2ccccc2NCc2ccncn2)cc1
InChIInChI=1S/C17H15N3O/c1-2-6-15(7-3-1)21-17-9-5-4-8-16(17)19-12-14-10-11-18-13-20-14/h1-11,13,19H,12H2
InChIKeyPZMNMNKKWRQHPV-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrimidin-4-ylmethylamino)benzonitrile
CID 62759502
2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
CID 114111495
2-[(2-phenoxyanilino)methyl]phenol
CID 43823583
methyl 2-methyl-3-(pyrimidin-4-ylmethylamino)benzoate
CID 55109818
N-[(2-phenoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 70978530
3-chloro-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62759477
3-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 107629774
2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
CID 62759682
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
2-[3-(pyrimidin-4-ylmethylamino)phenoxy]acetonitrile
CID 62749072
6-methyl-2-N-(2-phenoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919228

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline?
The IUPAC name of 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline (CID 62758918) is 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline.
What is the SMILES notation for 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline?
The canonical SMILES for 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline is c1ccc(Oc2ccccc2NCc2ccncn2)cc1.
What is the InChIKey of 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline?
The InChIKey is PZMNMNKKWRQHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-6-15(7-3-1)21-17-9-5-4-8-16(17)19-12-14-10-11-18-13-20-14/h1-11,13,19H,12H2.
What are the key properties of 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline?
2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline has a molecular weight of 277.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline is sourced from PubChem (CID 62758918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).