6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane

C22H24N6S — CID 157078811

About 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane

6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane (PubChem CID 157078811) has the molecular formula C22H24N6S and a molecular weight of 404.54 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane.

Molecular Properties

• Compound Name: 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
• PubChem CID: 157078811
• Molecular Formula: C22H24N6S
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.18
• IUPAC Name: 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
• SMILES: Cc1ccc(-c2cc(NC[C@@H](C)c3cccc4c(C)ncnc34)ncn2)cn1.S
• InChI: InChI=1S/C22H22N6.H2S/c1-14(18-5-4-6-19-16(3)25-12-28-22(18)19)10-24-21-9-20(26-13-27-21)17-8-7-15(2)23-11-17;/h4-9,11-14H,10H2,1-3H3,(H,24,26,27);1H2/t14-;/m1./s1
• InChIKey: ADHCZZVJFUJWED-PFEQFJNWSA-N
• XLogP: 4.43
• TPSA: 76.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane?

The IUPAC name of 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane (CID 157078811) is 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane.

What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane?

The canonical SMILES for 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane is Cc1ccc(-c2cc(NC[C@@H](C)c3cccc4c(C)ncnc34)ncn2)cn1.S.

What is the InChIKey of 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane?

The InChIKey is ADHCZZVJFUJWED-PFEQFJNWSA-N. The full InChI is InChI=1S/C22H22N6.H2S/c1-14(18-5-4-6-19-16(3)25-12-28-22(18)19)10-24-21-9-20(26-13-27-21)17-8-7-15(2)23-11-17;/h4-9,11-14H,10H2,1-3H3,(H,24,26,27);1H2/t14-;/m1./s1.

What are the key properties of 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane?

6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane has a molecular weight of 404.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane is sourced from PubChem (CID 157078811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).