6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione

C25H26FN5O3 — CID 34653842

IUPAC6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2ccccc2)Cc2coc(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26FN5O3/c1-2-3-13-31-22(27)21(23(32)29-25(31)33)30(14-17-7-5-4-6-8-17)15-20-16-34-24(28-20)18-9-11-19(26)12-10-18/h4-12,16H,2-3,13-15,27H2,1H3,(H,29,32,33)
InChIKeyHMRBYPRWIIMISV-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.92
Rot. Bonds9

About 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione

6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione (PubChem CID 34653842) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione
PubChem CID34653842
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2ccccc2)Cc2coc(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26FN5O3/c1-2-3-13-31-22(27)21(23(32)29-25(31)33)30(14-17-7-5-4-6-8-17)15-20-16-34-24(28-20)18-9-11-19(26)12-10-18/h4-12,16H,2-3,13-15,27H2,1H3,(H,29,32,33)
InChIKeyHMRBYPRWIIMISV-UHFFFAOYSA-N
XLogP3.92
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34806420
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
6-amino-1-butyl-5-[ethyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834984
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
CID 30891861
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione (CID 34653842) is 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N(Cc2ccccc2)Cc2coc(-c3ccc(F)cc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione?
The InChIKey is HMRBYPRWIIMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-2-3-13-31-22(27)21(23(32)29-25(31)33)30(14-17-7-5-4-6-8-17)15-20-16-34-24(28-20)18-9-11-19(26)12-10-18/h4-12,16H,2-3,13-15,27H2,1H3,(H,29,32,33).
What are the key properties of 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione?
6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione has a molecular weight of 463.51 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[benzyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 34653842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).