4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide

C15H18N4O2 — CID 136956188

IUPAC4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-3-5-12(6-4-10)15(21)17-8-7-16-13-9-14(20)19-11(2)18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyGQMJGQFYSJRTGZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.23
Rot. Bonds5

About 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide

4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 136956188) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID136956188
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNc2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-3-5-12(6-4-10)15(21)17-8-7-16-13-9-14(20)19-11(2)18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyGQMJGQFYSJRTGZ-UHFFFAOYSA-N
XLogP1.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
CID 136782525
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide (CID 136956188) is 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNc2cc(=O)[nH]c(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is GQMJGQFYSJRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-3-5-12(6-4-10)15(21)17-8-7-16-13-9-14(20)19-11(2)18-13/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide?
4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 136956188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).