4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

C21H28N4O3 — CID 91967481

IUPAC4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-3-4-11-28-19-7-5-17(6-8-19)20(26)22-15-18-14-16(2)23-21(24-18)25-9-12-27-13-10-25/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,26)
InChIKeyUFNYYZMXUKDUTE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.73
Rot. Bonds8

About 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide

4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 91967481) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID91967481
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-3-4-11-28-19-7-5-17(6-8-19)20(26)22-15-18-14-16(2)23-21(24-18)25-9-12-27-13-10-25/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,26)
InChIKeyUFNYYZMXUKDUTE-UHFFFAOYSA-N
XLogP2.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122353733
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 72718397
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-pentoxybenzamide
CID 122295213
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 122353684
5-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122353746
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (CID 91967481) is 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is CCCCOc1ccc(C(=O)NCc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is UFNYYZMXUKDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-4-11-28-19-7-5-17(6-8-19)20(26)22-15-18-14-16(2)23-21(24-18)25-9-12-27-13-10-25/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,26).
What are the key properties of 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91967481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).