4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline

C13H15N3O — CID 62748569

IUPAC4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2ccnc(C)n2)cc1
InChIInChI=1S/C13H15N3O/c1-10-14-8-7-12(16-10)9-15-11-3-5-13(17-2)6-4-11/h3-8,15H,9H2,1-2H3
InChIKeyCUIFHKXFQMSPCF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds4

About 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline

4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline (PubChem CID 62748569) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
PubChem CID62748569
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2ccnc(C)n2)cc1
InChIInChI=1S/C13H15N3O/c1-10-14-8-7-12(16-10)9-15-11-3-5-13(17-2)6-4-11/h3-8,15H,9H2,1-2H3
InChIKeyCUIFHKXFQMSPCF-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
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-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
4-fluoro-3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62810194
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
4-bromo-3-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 65435143
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
3-[(2-methylpyrimidin-4-yl)methylamino]cyclopent-2-en-1-one
CID 104788316
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 62746951

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline (CID 62748569) is 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline is COc1ccc(NCc2ccnc(C)n2)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
The InChIKey is CUIFHKXFQMSPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-14-8-7-12(16-10)9-15-11-3-5-13(17-2)6-4-11/h3-8,15H,9H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline?
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline has a molecular weight of 229.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline is sourced from PubChem (CID 62748569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).