6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one

C23H25N7O2 — CID 58093997

IUPAC6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one
SMILESCOc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN(C)C)c(=O)c23)c1
InChIInChI=1S/C23H25N7O2/c1-29(2)9-10-30-8-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(30)31)27-17-5-4-6-18(12-17)32-3/h4-8,11-14H,9-10H2,1-3H3,(H,27,28)(H2,24,25,26)
InChIKeyAOZCRBAIGMRBNG-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.75
Rot. Bonds7

About 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one (PubChem CID 58093997) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one
PubChem CID58093997
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one
SMILESCOc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN(C)C)c(=O)c23)c1
InChIInChI=1S/C23H25N7O2/c1-29(2)9-10-30-8-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(30)31)27-17-5-4-6-18(12-17)32-3/h4-8,11-14H,9-10H2,1-3H3,(H,27,28)(H2,24,25,26)
InChIKeyAOZCRBAIGMRBNG-UHFFFAOYSA-N
XLogP2.75
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.75
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)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one (CID 58093997) is 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one is COc1cccc(Nc2nc(-c3cnc(N)nc3)cc3ccn(CCN(C)C)c(=O)c23)c1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one?
The InChIKey is AOZCRBAIGMRBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-29(2)9-10-30-8-7-15-11-19(16-13-25-23(24)26-14-16)28-21(20(15)22(30)31)27-17-5-4-6-18(12-17)32-3/h4-8,11-14H,9-10H2,1-3H3,(H,27,28)(H2,24,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one has a molecular weight of 431.50 g/mol, XLogP of 2.75, 7 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)-2-[2-(dimethylamino)ethyl]-8-(3-methoxyanilino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).