6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one

C20H19N7O — CID 58093697

IUPAC6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
SMILESCNc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1C
InChIInChI=1S/C20H19N7O/c1-11-3-4-14(8-15(11)22-2)26-18-17-12(5-6-23-19(17)28)7-16(27-18)13-9-24-20(21)25-10-13/h3-10,22H,1-2H3,(H,23,28)(H,26,27)(H2,21,24,25)
InChIKeyMFPLBXNXWLYMDI-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.06
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093697) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093697
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
SMILESCNc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1C
InChIInChI=1S/C20H19N7O/c1-11-3-4-14(8-15(11)22-2)26-18-17-12(5-6-23-19(17)28)7-16(27-18)13-9-24-20(21)25-10-13/h3-10,22H,1-2H3,(H,23,28)(H,26,27)(H2,21,24,25)
InChIKeyMFPLBXNXWLYMDI-UHFFFAOYSA-N
XLogP3.06
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one (CID 58093697) is 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one is CNc1cc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)ccc1C.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is MFPLBXNXWLYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-11-3-4-14(8-15(11)22-2)26-18-17-12(5-6-23-19(17)28)7-16(27-18)13-9-24-20(21)25-10-13/h3-10,22H,1-2H3,(H,23,28)(H,26,27)(H2,21,24,25).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 373.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).