4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C22H26N6O — CID 159225386

About 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 159225386) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 159225386
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CN(C)C1CN(c2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1
• InChI: InChI=1S/C22H26N6O/c1-26(2)15-11-28(12-15)22-24-19-13-27(8-7-18(19)21(23)25-22)20-10-16(29)9-14-5-3-4-6-17(14)20/h3-6,9-10,15,29H,7-8,11-13H2,1-2H3,(H2,23,24,25)
• InChIKey: FNXFBOIKBOWOKW-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 159225386) is 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CN(C)C1CN(c2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1.

What is the InChIKey of 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is FNXFBOIKBOWOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26(2)15-11-28(12-15)22-24-19-13-27(8-7-18(19)21(23)25-22)20-10-16(29)9-14-5-3-4-6-17(14)20/h3-6,9-10,15,29H,7-8,11-13H2,1-2H3,(H2,23,24,25).

What are the key properties of 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 390.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[3-(dimethylamino)azetidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 159225386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).