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

C21H29N5O2 — CID 24768330

IUPAC4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O2/c1-6-8-11-25(7-2)20-19-21(23-15(4)22-20)26(13-18(27)24-19)17-10-9-16(28-5)12-14(17)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,24,27)
InChIKeyGBZINFFYVNYYJL-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.82
Rot. Bonds7

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

4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one (PubChem CID 24768330) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one
PubChem CID24768330
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O2/c1-6-8-11-25(7-2)20-19-21(23-15(4)22-20)26(13-18(27)24-19)17-10-9-16(28-5)12-14(17)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,24,27)
InChIKeyGBZINFFYVNYYJL-UHFFFAOYSA-N
XLogP3.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one?
The IUPAC name of 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one (CID 24768330) is 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one is CCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C.
What is the InChIKey of 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one?
The InChIKey is GBZINFFYVNYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-6-8-11-25(7-2)20-19-21(23-15(4)22-20)26(13-18(27)24-19)17-10-9-16(28-5)12-14(17)3/h9-10,12H,6-8,11,13H2,1-5H3,(H,24,27).
What are the key properties of 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one?
4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one has a molecular weight of 383.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 24768330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).