N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide

C15H18N4O2 — CID 16788281

IUPACN-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCn1cccnc1=O
InChIInChI=1S/C15H18N4O2/c1-11-5-6-12(16)10-13(11)18-14(20)4-2-8-19-9-3-7-17-15(19)21/h3,5-7,9-10H,2,4,8,16H2,1H3,(H,18,20)
InChIKeyGAEYWGHHYBYCLW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.55
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide

N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide (PubChem CID 16788281) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
PubChem CID16788281
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCn1cccnc1=O
InChIInChI=1S/C15H18N4O2/c1-11-5-6-12(16)10-13(11)18-14(20)4-2-8-19-9-3-7-17-15(19)21/h3,5-7,9-10H,2,4,8,16H2,1H3,(H,18,20)
InChIKeyGAEYWGHHYBYCLW-UHFFFAOYSA-N
XLogP1.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788872
N-(5-amino-2-methylphenyl)-4-pyrimidin-2-ylsulfanylbutanamide
CID 28533558
4-(2-oxopyrimidin-1-yl)butanehydrazide
CID 63572413
N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760027
N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 43825670
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide (CID 16788281) is N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide is Cc1ccc(N)cc1NC(=O)CCCn1cccnc1=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide?
The InChIKey is GAEYWGHHYBYCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-5-6-12(16)10-13(11)18-14(20)4-2-8-19-9-3-7-17-15(19)21/h3,5-7,9-10H,2,4,8,16H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide?
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide has a molecular weight of 286.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 16788281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).