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

C16H20N4O3 — CID 136998459

IUPAC3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(OCCN)c2)n1
InChIInChI=1S/C16H20N4O3/c1-11-9-15(21)20-14(19-11)5-7-18-16(22)12-3-2-4-13(10-12)23-8-6-17/h2-4,9-10H,5-8,17H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyVWZPCSXKUHFWDQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.39
Rot. Bonds7

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

3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (PubChem CID 136998459) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
PubChem CID136998459
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2cccc(OCCN)c2)n1
InChIInChI=1S/C16H20N4O3/c1-11-9-15(21)20-14(19-11)5-7-18-16(22)12-3-2-4-13(10-12)23-8-6-17/h2-4,9-10H,5-8,17H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyVWZPCSXKUHFWDQ-UHFFFAOYSA-N
XLogP0.39
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 135990303
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
methyl N-[(2R)-1-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 136867852
3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 118774721
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
CID 118781649
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide (CID 136998459) is 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(OCCN)c2)n1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
The InChIKey is VWZPCSXKUHFWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-9-15(21)20-14(19-11)5-7-18-16(22)12-3-2-4-13(10-12)23-8-6-17/h2-4,9-10H,5-8,17H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide?
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 136998459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).