N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine

C25H23FN8O2 — CID 162428946

About N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine

N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 162428946) has the molecular formula C25H23FN8O2 and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 162428946
• Molecular Formula: C25H23FN8O2
• Molecular Weight: 486.51 g/mol
• Exact Mass: 486.19
• IUPAC Name: N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
• SMILES: Cc1c(Oc2ccc3c(c2)ncn3C)ccc(Nc2ncnc3cnc(N4CCOCC4)nc23)c1F
• InChI: InChI=1S/C25H23FN8O2/c1-15-21(36-16-3-5-20-18(11-16)30-14-33(20)2)6-4-17(22(15)26)31-24-23-19(28-13-29-24)12-27-25(32-23)34-7-9-35-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,31)
• InChIKey: ICHIXZNKETUWIJ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 103.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.51
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?

The IUPAC name of N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine (CID 162428946) is N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine is Cc1c(Oc2ccc3c(c2)ncn3C)ccc(Nc2ncnc3cnc(N4CCOCC4)nc23)c1F.

What is the InChIKey of N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?

The InChIKey is ICHIXZNKETUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O2/c1-15-21(36-16-3-5-20-18(11-16)30-14-33(20)2)6-4-17(22(15)26)31-24-23-19(28-13-29-24)12-27-25(32-23)34-7-9-35-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,31).

What are the key properties of N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?

N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 486.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162428946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).