4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide

C15H18N4O3 — CID 153325332

IUPAC4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Oc2nccc(CN)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-21-9-8-17-14(20)11-2-4-13(5-3-11)22-15-18-7-6-12(10-16)19-15/h2-7H,8-10,16H2,1H3,(H,17,20)
InChIKeyPIRCWRMDYOYIBU-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds7

About 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide

4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 153325332) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID153325332
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Oc2nccc(CN)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-21-9-8-17-14(20)11-2-4-13(5-3-11)22-15-18-7-6-12(10-16)19-15/h2-7H,8-10,16H2,1H3,(H,17,20)
InChIKeyPIRCWRMDYOYIBU-UHFFFAOYSA-N
XLogP1.10
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
CID 56724091
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide (CID 153325332) is 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Oc2nccc(CN)n2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is PIRCWRMDYOYIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-9-8-17-14(20)11-2-4-13(5-3-11)22-15-18-7-6-12(10-16)19-15/h2-7H,8-10,16H2,1H3,(H,17,20).
What are the key properties of 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide?
4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 153325332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).