2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide

C19H23N7O2 — CID 58167020

About 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide

2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide (PubChem CID 58167020) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide
• PubChem CID: 58167020
• Molecular Formula: C19H23N7O2
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.19
• IUPAC Name: 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide
• SMILES: CC(C(N)=O)n1ccc2cc(-c3cnc(N)nc3)nc(NC(C)(C)C)c2c1=O
• InChI: InChI=1S/C19H23N7O2/c1-10(15(20)27)26-6-5-11-7-13(12-8-22-18(21)23-9-12)24-16(14(11)17(26)28)25-19(2,3)4/h5-10H,1-4H3,(H2,20,27)(H,24,25)(H2,21,22,23)
• InChIKey: IDOICFZRUJEFLN-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 141.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide?

The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide (CID 58167020) is 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide.

What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide?

The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide is CC(C(N)=O)n1ccc2cc(-c3cnc(N)nc3)nc(NC(C)(C)C)c2c1=O.

What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide?

The InChIKey is IDOICFZRUJEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-10(15(20)27)26-6-5-11-7-13(12-8-22-18(21)23-9-12)24-16(14(11)17(26)28)25-19(2,3)4/h5-10H,1-4H3,(H2,20,27)(H,24,25)(H2,21,22,23).

What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide?

2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide has a molecular weight of 381.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-aminopyrimidin-5-yl)-8-(tert-butylamino)-1-oxo-2,7-naphthyridin-2-yl]propanamide is sourced from PubChem (CID 58167020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).