4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide

C18H24N4O2 — CID 108787746

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-14(2)22-18(21-13)19-10-4-5-17(23)20-12-15-6-8-16(24-3)9-7-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyGLEOITJLUSLKNR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.61
Rot. Bonds8

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 108787746) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID108787746
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-14(2)22-18(21-13)19-10-4-5-17(23)20-12-15-6-8-16(24-3)9-7-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyGLEOITJLUSLKNR-UHFFFAOYSA-N
XLogP2.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
CID 108787804
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-octylbutanamide
CID 108787788
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307528
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide (CID 108787746) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide is COc1ccc(CNC(=O)CCCNc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is GLEOITJLUSLKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-14(2)22-18(21-13)19-10-4-5-17(23)20-12-15-6-8-16(24-3)9-7-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 328.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 108787746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).