N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide

C17H21N3O4 — CID 121120641

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2cnc(C)c(C)c2=O)c1OC
InChIInChI=1S/C17H21N3O4/c1-11-12(2)19-10-20(17(11)22)9-8-18-16(21)13-6-5-7-14(23-3)15(13)24-4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyCPOSWJZWUHIFDR-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 121120641) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
PubChem CID121120641
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2cnc(C)c(C)c2=O)c1OC
InChIInChI=1S/C17H21N3O4/c1-11-12(2)19-10-20(17(11)22)9-8-18-16(21)13-6-5-7-14(23-3)15(13)24-4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyCPOSWJZWUHIFDR-UHFFFAOYSA-N
XLogP1.31
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
2,3-dimethoxy-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908664
N-[2-[5-[(3-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2,3-dimethoxybenzamide
CID 42391154
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121120713
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide (CID 121120641) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCn2cnc(C)c(C)c2=O)c1OC.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is CPOSWJZWUHIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-12(2)19-10-20(17(11)22)9-8-18-16(21)13-6-5-7-14(23-3)15(13)24-4/h5-7,10H,8-9H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 121120641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).