N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide

C17H23N5O2 — CID 50947492

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNc2nc(C)cc(N(C)C)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-12-11-15(22(2)3)21-17(20-12)19-10-9-18-16(23)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeySJPGVHJJFARZAT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds7

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide (PubChem CID 50947492) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
PubChem CID50947492
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNc2nc(C)cc(N(C)C)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-12-11-15(22(2)3)21-17(20-12)19-10-9-18-16(23)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeySJPGVHJJFARZAT-UHFFFAOYSA-N
XLogP1.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
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

4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
4-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295422
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121075329
4-acetyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122294748
4-tert-butyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075067
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 50944592
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122295416
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 121075086
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122295415
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 122295387

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide (CID 50947492) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNc2nc(C)cc(N(C)C)n2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide?
The InChIKey is SJPGVHJJFARZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-15(22(2)3)21-17(20-12)19-10-9-18-16(23)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 50947492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).