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

C28H30N10 — CID 155319786

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

2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine (PubChem CID 155319786) has the molecular formula C28H30N10 and a molecular weight of 506.62 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine
• PubChem CID: 155319786
• Molecular Formula: C28H30N10
• Molecular Weight: 506.62 g/mol
• Exact Mass: 506.27
• IUPAC Name: 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine
• SMILES: Cc1ncc(CN2C3CC2CN(c2ccc(C4(c5cc(C)[nH]n5)N=C(N)c5ccccc5N4)cn2)C3)cn1
• InChI: InChI=1S/C28H30N10/c1-17-9-25(36-35-17)28(33-24-6-4-3-5-23(24)27(29)34-28)20-7-8-26(32-13-20)37-15-21-10-22(16-37)38(21)14-19-11-30-18(2)31-12-19/h3-9,11-13,21-22,33H,10,14-16H2,1-2H3,(H2,29,34)(H,35,36)
• InChIKey: IRIUMZHBUSSNCE-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 124.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.62
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine (CID 155319786) is 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine.

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

The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine is Cc1ncc(CN2C3CC2CN(c2ccc(C4(c5cc(C)[nH]n5)N=C(N)c5ccccc5N4)cn2)C3)cn1.

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

The InChIKey is IRIUMZHBUSSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N10/c1-17-9-25(36-35-17)28(33-24-6-4-3-5-23(24)27(29)34-28)20-7-8-26(32-13-20)37-15-21-10-22(16-37)38(21)14-19-11-30-18(2)31-12-19/h3-9,11-13,21-22,33H,10,14-16H2,1-2H3,(H2,29,34)(H,35,36).

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

2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine has a molecular weight of 506.62 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-1H-quinazolin-4-amine is sourced from PubChem (CID 155319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).