6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H23N3O4 — CID 17427057

IUPAC6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)c1OC
InChIInChI=1S/C17H23N3O4/c1-18(10-12-7-6-8-14(23-4)16(12)24-5)11-13-9-15(21)20(3)17(22)19(13)2/h6-9H,10-11H2,1-5H3
InChIKeyHJGTVZNXHDFJEV-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.73
Rot. Bonds6

About 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 17427057) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID17427057
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)c1OC
InChIInChI=1S/C17H23N3O4/c1-18(10-12-7-6-8-14(23-4)16(12)24-5)11-13-9-15(21)20(3)17(22)19(13)2/h6-9H,10-11H2,1-5H3
InChIKeyHJGTVZNXHDFJEV-UHFFFAOYSA-N
XLogP0.73
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
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CID 18078834
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
2-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 27099090
6-chloro-4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-7-ethylchromen-2-one
CID 46801636
8-[(2,3-dimethoxyphenyl)methyl-prop-2-enylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 3459076
(2R)-2-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]pentanedinitrile
CID 39750566
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708046
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107650684
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 18121406
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 17427057) is 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)c1OC.
What is the InChIKey of 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HJGTVZNXHDFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-18(10-12-7-6-8-14(23-4)16(12)24-5)11-13-9-15(21)20(3)17(22)19(13)2/h6-9H,10-11H2,1-5H3.
What are the key properties of 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 17427057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).