2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

C24H28N4O4 — CID 91913742

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1OC
InChIInChI=1S/C24H28N4O4/c1-17-13-22(30)28(24(26-17)27(2)15-18-9-6-5-7-10-18)16-21(29)25-14-19-11-8-12-20(31-3)23(19)32-4/h5-13H,14-16H2,1-4H3,(H,25,29)
InChIKeyFJVHFEFPPQQUOA-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.52
Rot. Bonds9

About 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (PubChem CID 91913742) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
PubChem CID91913742
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1OC
InChIInChI=1S/C24H28N4O4/c1-17-13-22(30)28(24(26-17)27(2)15-18-9-6-5-7-10-18)16-21(29)25-14-19-11-8-12-20(31-3)23(19)32-4/h5-13H,14-16H2,1-4H3,(H,25,29)
InChIKeyFJVHFEFPPQQUOA-UHFFFAOYSA-N
XLogP2.52
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
N-methyl-pyrimidinone derivative, 18
CID 54737247
6-Amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2508897
N-(2-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-2-oxoethyl)-2,3-dimethoxybenzamide
CID 8030615
1-Benzyl-3-[1-(3-methoxy-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450141
N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698858
1-Benzyl-3-[1-(3-methoxy-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 6488656
6-Benzyl-2-[(2-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136362969
6-Benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383001
2-(Benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383024
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 1505771
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16550921

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide (CID 91913742) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1OC.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
The InChIKey is FJVHFEFPPQQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-13-22(30)28(24(26-17)27(2)15-18-9-6-5-7-10-18)16-21(29)25-14-19-11-8-12-20(31-3)23(19)32-4/h5-13H,14-16H2,1-4H3,(H,25,29).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91913742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).