1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine

C13H15N3O — CID 82710120

IUPAC1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine
SMILESCc1nccc(CNOCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-11-14-8-7-13(16-11)9-15-17-10-12-5-3-2-4-6-12/h2-8,15H,9-10H2,1H3
InChIKeyQIRRAQDWIRNJPK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.01
Rot. Bonds5

About 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine

1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine (PubChem CID 82710120) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine
PubChem CID82710120
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine
SMILESCc1nccc(CNOCc2ccccc2)n1
InChIInChI=1S/C13H15N3O/c1-11-14-8-7-13(16-11)9-15-17-10-12-5-3-2-4-6-12/h2-8,15H,9-10H2,1H3
InChIKeyQIRRAQDWIRNJPK-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
CID 79008069
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
CID 61017076
1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
CID 96806067
N-[(2-methylpyrimidin-4-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 62339520
N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylaniline
CID 62749101
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-phenylmethoxymethanamine
CID 64974387
3-methyl-4-[(phenylmethoxyamino)methyl]phenol
CID 82622246
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine (CID 82710120) is 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine is Cc1nccc(CNOCc2ccccc2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine?
The InChIKey is QIRRAQDWIRNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-11-14-8-7-13(16-11)9-15-17-10-12-5-3-2-4-6-12/h2-8,15H,9-10H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine?
1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82710120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).