2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

C23H23N7S — CID 155725193

About 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 155725193) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
• PubChem CID: 155725193
• Molecular Formula: C23H23N7S
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.17
• IUPAC Name: 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
• SMILES: Cc1cnc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)s1
• InChI: InChI=1S/C23H23N7S/c1-14-9-26-21(31-14)13-30-16-8-17(30)12-29(11-16)20-7-6-15(10-25-20)23-27-19-5-3-2-4-18(19)22(24)28-23/h2-7,9-10,16-17H,8,11-13H2,1H3,(H2,24,27,28)
• InChIKey: XEVBIEQAVNOJHE-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 84.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?

The IUPAC name of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (CID 155725193) is 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.

What is the SMILES notation for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?

The canonical SMILES for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is Cc1cnc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)s1.

What is the InChIKey of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?

The InChIKey is XEVBIEQAVNOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7S/c1-14-9-26-21(31-14)13-30-16-8-17(30)12-29(11-16)20-7-6-15(10-25-20)23-27-19-5-3-2-4-18(19)22(24)28-23/h2-7,9-10,16-17H,8,11-13H2,1H3,(H2,24,27,28).

What are the key properties of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?

2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 429.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 155725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).