(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide

C20H28N4O5 — CID 9094391

IUPAC(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O5/c1-5-9-24-17(21)16(18(25)22-20(24)27)23(10-11-28-4)19(26)14(3)29-15-8-6-7-13(2)12-15/h6-8,12,14H,5,9-11,21H2,1-4H3,(H,22,25,27)/t14-/m0/s1
InChIKeyFDLIGQKLVGQDJE-AWEZNQCLSA-N
MW404.47 g/mol
LogP1.28
Rot. Bonds9

About (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide

(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide (PubChem CID 9094391) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
PubChem CID9094391
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O5/c1-5-9-24-17(21)16(18(25)22-20(24)27)23(10-11-28-4)19(26)14(3)29-15-8-6-7-13(2)12-15/h6-8,12,14H,5,9-11,21H2,1-4H3,(H,22,25,27)/t14-/m0/s1
InChIKeyFDLIGQKLVGQDJE-AWEZNQCLSA-N
XLogP1.28
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 16550127
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
CID 55360222
(2S)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(3-chlorophenoxy)propanamide
CID 26118598
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 55335384
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
CID 46806954
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-bromophenoxy)propanamide
CID 42906789
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 27879371
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
CID 4792116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide (CID 9094391) is (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide is CCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is FDLIGQKLVGQDJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-5-9-24-17(21)16(18(25)22-20(24)27)23(10-11-28-4)19(26)14(3)29-15-8-6-7-13(2)12-15/h6-8,12,14H,5,9-11,21H2,1-4H3,(H,22,25,27)/t14-/m0/s1.
What are the key properties of (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 404.47 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 9094391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).