4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

C15H17N5O — CID 80750407

IUPAC4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCCc1c(N)ncnc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H17N5O/c1-2-5-10-14(16)17-9-18-15(10)20-8-13(21)19-11-6-3-4-7-12(11)20/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyFNBHPSMFKXZPFE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.10
Rot. Bonds3

About 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 80750407) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID80750407
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCCc1c(N)ncnc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H17N5O/c1-2-5-10-14(16)17-9-18-15(10)20-8-13(21)19-11-6-3-4-7-12(11)20/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyFNBHPSMFKXZPFE-UHFFFAOYSA-N
XLogP2.10
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 80750407) is 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is CCCc1c(N)ncnc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is FNBHPSMFKXZPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-5-10-14(16)17-9-18-15(10)20-8-13(21)19-11-6-3-4-7-12(11)20/h3-4,6-7,9H,2,5,8H2,1H3,(H,19,21)(H2,16,17,18).
What are the key properties of 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80750407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).