6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine

C24H24N10O — CID 156821234

About 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine

6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 156821234) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 156821234
• Molecular Formula: C24H24N10O
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.21
• IUPAC Name: 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2ncnc3cnc(N4CCN[C@H](C)C4)nc23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C24H24N10O/c1-15-9-17(3-4-20(15)35-18-5-7-34-21(10-18)28-14-30-34)31-23-22-19(27-13-29-23)11-26-24(32-22)33-8-6-25-16(2)12-33/h3-5,7,9-11,13-14,16,25H,6,8,12H2,1-2H3,(H,27,29,31)/t16-/m1/s1
• InChIKey: ODUSVQGBSBBVLT-MRXNPFEDSA-N
• XLogP: 3.10
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The IUPAC name of 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine (CID 156821234) is 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3cnc(N4CCN[C@H](C)C4)nc23)ccc1Oc1ccn2ncnc2c1.

What is the InChIKey of 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The InChIKey is ODUSVQGBSBBVLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N10O/c1-15-9-17(3-4-20(15)35-18-5-7-34-21(10-18)28-14-30-34)31-23-22-19(27-13-29-23)11-26-24(32-22)33-8-6-25-16(2)12-33/h3-5,7,9-11,13-14,16,25H,6,8,12H2,1-2H3,(H,27,29,31)/t16-/m1/s1.

What are the key properties of 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 468.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-methylpiperazin-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 156821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).