8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one

C22H29N5O2 — CID 24768345

IUPAC8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C22H29N5O2/c1-6-8-11-26(7-2)21-20-22(24-16(5)23-21)27(13-19(29)25-20)18-10-9-17(15(4)28)12-14(18)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,25,29)
InChIKeyYISHTNZLSQKFKB-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.01
Rot. Bonds7

About 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one

8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one (PubChem CID 24768345) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one
PubChem CID24768345
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C22H29N5O2/c1-6-8-11-26(7-2)21-20-22(24-16(5)23-21)27(13-19(29)25-20)18-10-9-17(15(4)28)12-14(18)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,25,29)
InChIKeyYISHTNZLSQKFKB-UHFFFAOYSA-N
XLogP4.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one?
The IUPAC name of 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one (CID 24768345) is 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one is CCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C.
What is the InChIKey of 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one?
The InChIKey is YISHTNZLSQKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-6-8-11-26(7-2)21-20-22(24-16(5)23-21)27(13-19(29)25-20)18-10-9-17(15(4)28)12-14(18)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,25,29).
What are the key properties of 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one?
8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one has a molecular weight of 395.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-acetyl-2-methylphenyl)-4-[butyl(ethyl)amino]-2-methyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 24768345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).