6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C24H25N5O4 — CID 38777873

IUPAC6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N(Cc2ccccc2)Cc2ncc(-c3ccccc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N5O4/c1-32-13-12-29-22(25)21(23(30)27-24(29)31)28(15-17-8-4-2-5-9-17)16-20-26-14-19(33-20)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16,25H2,1H3,(H,27,30,31)
InChIKeyLELIYPIXCYVPQA-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.63
Rot. Bonds9

About 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 38777873) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID38777873
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N(Cc2ccccc2)Cc2ncc(-c3ccccc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C24H25N5O4/c1-32-13-12-29-22(25)21(23(30)27-24(29)31)28(15-17-8-4-2-5-9-17)16-20-26-14-19(33-20)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16,25H2,1H3,(H,27,30,31)
InChIKeyLELIYPIXCYVPQA-UHFFFAOYSA-N
XLogP2.63
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[benzyl-[(2,6-dichlorophenyl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36956398
6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 46594963
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857
6-amino-5-[benzyl-[2-(4-nitrophenyl)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 55851918
6-amino-5-[benzyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 112841376
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 38777873) is 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(N(Cc2ccccc2)Cc2ncc(-c3ccccc3)o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is LELIYPIXCYVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-32-13-12-29-22(25)21(23(30)27-24(29)31)28(15-17-8-4-2-5-9-17)16-20-26-14-19(33-20)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16,25H2,1H3,(H,27,30,31).
What are the key properties of 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 447.50 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 38777873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).