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

C16H20N4O2 — CID 136664785

IUPAC3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-15(21)19-14(18-11)7-8-17-16(22)12-5-4-6-13(10-12)20(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyFLQCSLNVFZIXOI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.12
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide

3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (PubChem CID 136664785) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
PubChem CID136664785
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-15(21)19-14(18-11)7-8-17-16(22)12-5-4-6-13(10-12)20(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyFLQCSLNVFZIXOI-UHFFFAOYSA-N
XLogP1.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 135990303
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3-(dimethylamino)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746469
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662792
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 91774892
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75475736

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (CID 136664785) is 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The InChIKey is FLQCSLNVFZIXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-15(21)19-14(18-11)7-8-17-16(22)12-5-4-6-13(10-12)20(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,22)(H,18,19,21).
What are the key properties of 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 136664785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).