6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C21H28N6O3 — CID 78834389

IUPAC6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1ccc(-n2ccnc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O3/c1-15(2)12-27-19(22)18(20(28)24-21(27)29)25(10-11-30-3)13-16-4-6-17(7-5-16)26-9-8-23-14-26/h4-9,14-15H,10-13,22H2,1-3H3,(H,24,28,29)
InChIKeyQRJUERSSVYOGGO-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.61
Rot. Bonds9

About 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 78834389) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID78834389
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1ccc(-n2ccnc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O3/c1-15(2)12-27-19(22)18(20(28)24-21(27)29)25(10-11-30-3)13-16-4-6-17(7-5-16)26-9-8-23-14-26/h4-9,14-15H,10-13,22H2,1-3H3,(H,24,28,29)
InChIKeyQRJUERSSVYOGGO-UHFFFAOYSA-N
XLogP1.61
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834390
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 55666594
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-methylpropanamide
CID 17480203
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 55703813
6-amino-5-[benzyl-[2-(4-nitrophenyl)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 55851918
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770493
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 7995118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 78834389) is 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is COCCN(Cc1ccc(-n2ccnc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is QRJUERSSVYOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-15(2)12-27-19(22)18(20(28)24-21(27)29)25(10-11-30-3)13-16-4-6-17(7-5-16)26-9-8-23-14-26/h4-9,14-15H,10-13,22H2,1-3H3,(H,24,28,29).
What are the key properties of 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-imidazol-1-ylphenyl)methyl-(2-methoxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 78834389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).