6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C25H31F2N9 — CID 135202518

About 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 135202518) has the molecular formula C25H31F2N9 and a molecular weight of 495.58 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• PubChem CID: 135202518
• Molecular Formula: C25H31F2N9
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.27
• IUPAC Name: 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• SMILES: CC(C)N1NNc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc21
• InChI: InChI=1S/C25H31F2N9/c1-15(2)36-21-12-17(11-18(26)24(21)32-33-36)23-19(27)13-28-25(31-23)30-22-6-5-16-14-35(10-9-34(3)4)8-7-20(16)29-22/h5-6,11-13,15,32-33H,7-10,14H2,1-4H3,(H,28,29,30,31)
• InChIKey: YDQPGXBYPHCMOF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 84.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The IUPAC name of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 135202518) is 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The canonical SMILES for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is CC(C)N1NNc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc21.

What is the InChIKey of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The InChIKey is YDQPGXBYPHCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N9/c1-15(2)36-21-12-17(11-18(26)24(21)32-33-36)23-19(27)13-28-25(31-23)30-22-6-5-16-14-35(10-9-34(3)4)8-7-20(16)29-22/h5-6,11-13,15,32-33H,7-10,14H2,1-4H3,(H,28,29,30,31).

What are the key properties of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 495.58 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 135202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).