6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one

C25H27N7O2 — CID 58094188

IUPAC6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESCc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)c1
InChIInChI=1S/C25H27N7O2/c1-17-3-2-4-20(13-17)29-23-22-18(14-21(30-23)19-15-27-25(26)28-16-19)5-6-32(24(22)33)8-7-31-9-11-34-12-10-31/h2-6,13-16H,7-12H2,1H3,(H,29,30)(H2,26,27,28)
InChIKeyVOHBWDDUUKQTDL-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.82
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (PubChem CID 58094188) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
PubChem CID58094188
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESCc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)c1
InChIInChI=1S/C25H27N7O2/c1-17-3-2-4-20(13-17)29-23-22-18(14-21(30-23)19-15-27-25(26)28-16-19)5-6-32(24(22)33)8-7-31-9-11-34-12-10-31/h2-6,13-16H,7-12H2,1H3,(H,29,30)(H2,26,27,28)
InChIKeyVOHBWDDUUKQTDL-UHFFFAOYSA-N
XLogP2.82
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (CID 58094188) is 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is Cc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN4CCOCC4)c(=O)c23)c1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The InChIKey is VOHBWDDUUKQTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-17-3-2-4-20(13-17)29-23-22-18(14-21(30-23)19-15-27-25(26)28-16-19)5-6-32(24(22)33)8-7-31-9-11-34-12-10-31/h2-6,13-16H,7-12H2,1H3,(H,29,30)(H2,26,27,28).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one has a molecular weight of 457.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(3-methylanilino)-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).