4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

C₁₈H₂₃N₅ — CID 777317

About 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine

4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (PubChem CID 777317) has the molecular formula C₁₈H₂₃N₅ and a molecular weight of 309.42 g/mol. Its IUPAC name is 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
• PubChem CID: 777317
• Molecular Formula: C₁₈H₂₃N₅
• Molecular Weight: 309.42 g/mol
• Exact Mass: 309.20
• IUPAC Name: 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine
• SMILES: CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1
• InChI: InChI=1S/C18H23N5/c1-10-7-11(2)15-14(8-10)13(4)20-16(21-15)22-17-19-12(3)9-18(5,6)23-17/h7-9H,1-6H3,(H2,19,20,21,22,23)
• InChIKey: NXZXRPKKYIPBNO-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 62.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.42
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_66_B(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?

The IUPAC name of 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine (CID 777317) is 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine.

What is the SMILES notation for 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?

The canonical SMILES for 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1.

What is the InChIKey of 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?

The InChIKey is NXZXRPKKYIPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-10-7-11(2)15-14(8-10)13(4)20-16(21-15)22-17-19-12(3)9-18(5,6)23-17/h7-9H,1-6H3,(H2,19,20,21,22,23).

What are the key properties of 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine?

4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 309.42 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6,8-trimethyl-N-(4,4,6-trimethyl-1H-pyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 777317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 777317 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.