5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione

C15H18N4O3 — CID 10266899

IUPAC5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-2-3-9-18-12(17)11(16)14(21)19(15(18)22)13(20)10-7-5-4-6-8-10/h4-8H,2-3,9,16-17H2,1H3
InChIKeyPTVSUNQAOLOVTQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.66
Rot. Bonds4

About 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione

5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione (PubChem CID 10266899) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione
PubChem CID10266899
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-2-3-9-18-12(17)11(16)14(21)19(15(18)22)13(20)10-7-5-4-6-8-10/h4-8H,2-3,9,16-17H2,1H3
InChIKeyPTVSUNQAOLOVTQ-UHFFFAOYSA-N
XLogP0.66
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-amino-1-benzoyl-3-butyl-2,6-dioxopyrimidin-5-yl)acetamide
CID 10088859
2-amino-3-butylquinazolin-4-one
CID 71653207
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione
CID 10783355
4,11-diamino-2-tridecylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 122535931
4,11-diamino-2-octadecylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 22008094
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 72550231
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
3-amino-2-pentylisoquinolin-1-one
CID 43162648

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione (CID 10266899) is 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione?
The InChIKey is PTVSUNQAOLOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-9-18-12(17)11(16)14(21)19(15(18)22)13(20)10-7-5-4-6-8-10/h4-8H,2-3,9,16-17H2,1H3.
What are the key properties of 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione?
5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 10266899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).