2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine

C33H32N10 — CID 121377264

About 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine

2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine (PubChem CID 121377264) has the molecular formula C33H32N10 and a molecular weight of 568.69 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
• PubChem CID: 121377264
• Molecular Formula: C33H32N10
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.28
• IUPAC Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
• SMILES: CN(C)c1ncc(-c2cccc(C(CNc3nc(-c4cnc(N(C)C)nc4)nc4ccccc34)c3ccccc3)n2)cn1
• InChI: InChI=1S/C33H32N10/c1-42(2)32-35-17-23(18-36-32)27-15-10-16-29(39-27)26(22-11-6-5-7-12-22)21-34-31-25-13-8-9-14-28(25)40-30(41-31)24-19-37-33(38-20-24)43(3)4/h5-20,26H,21H2,1-4H3,(H,34,40,41)
• InChIKey: DIGVBCFMFFUDDK-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 108.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine?

The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine (CID 121377264) is 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine.

What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine?

The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine is CN(C)c1ncc(-c2cccc(C(CNc3nc(-c4cnc(N(C)C)nc4)nc4ccccc34)c3ccccc3)n2)cn1.

What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine?

The InChIKey is DIGVBCFMFFUDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N10/c1-42(2)32-35-17-23(18-36-32)27-15-10-16-29(39-27)26(22-11-6-5-7-12-22)21-34-31-25-13-8-9-14-28(25)40-30(41-31)24-19-37-33(38-20-24)43(3)4/h5-20,26H,21H2,1-4H3,(H,34,40,41).

What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine?

2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine has a molecular weight of 568.69 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 121377264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).