3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C16H20N4O3 — CID 118783405

IUPAC3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESCc1cc(-c2cccc(C(=O)NCCOCCO)c2)nc(N)n1
InChIInChI=1S/C16H20N4O3/c1-11-9-14(20-16(17)19-11)12-3-2-4-13(10-12)15(22)18-5-7-23-8-6-21/h2-4,9-10,21H,5-8H2,1H3,(H,18,22)(H2,17,19,20)
InChIKeyYBWJOTLXHMIQPY-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.77
Rot. Bonds7

About 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 118783405) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID118783405
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESCc1cc(-c2cccc(C(=O)NCCOCCO)c2)nc(N)n1
InChIInChI=1S/C16H20N4O3/c1-11-9-14(20-16(17)19-11)12-3-2-4-13(10-12)15(22)18-5-7-23-8-6-21/h2-4,9-10,21H,5-8H2,1H3,(H,18,22)(H2,17,19,20)
InChIKeyYBWJOTLXHMIQPY-UHFFFAOYSA-N
XLogP0.77
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118775753
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 118793940
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142
N-[2-(2-hydroxyethoxy)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 123993399
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 118783405) is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is Cc1cc(-c2cccc(C(=O)NCCOCCO)c2)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is YBWJOTLXHMIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-9-14(20-16(17)19-11)12-3-2-4-13(10-12)15(22)18-5-7-23-8-6-21/h2-4,9-10,21H,5-8H2,1H3,(H,18,22)(H2,17,19,20).
What are the key properties of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 118783405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).