2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C16H19N3O4 — CID 121121150

IUPAC2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCn2cncc(C)c2=O)c1
InChIInChI=1S/C16H19N3O4/c1-11-9-17-10-19(16(11)21)7-6-18-15(20)13-8-12(22-2)4-5-14(13)23-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,20)
InChIKeyTYSKLQAPSUQTNV-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.00
Rot. Bonds6

About 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121121150) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121121150
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCn2cncc(C)c2=O)c1
InChIInChI=1S/C16H19N3O4/c1-11-9-17-10-19(16(11)21)7-6-18-15(20)13-8-12(22-2)4-5-14(13)23-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,20)
InChIKeyTYSKLQAPSUQTNV-UHFFFAOYSA-N
XLogP1.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121097
(E)-3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 121121112
3-methoxy-2-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]indazole-6-carboxamide
CID 121121318
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121121150) is 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is COc1ccc(OC)c(C(=O)NCCn2cncc(C)c2=O)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is TYSKLQAPSUQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-9-17-10-19(16(11)21)7-6-18-15(20)13-8-12(22-2)4-5-14(13)23-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121121150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).