acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane

C30H46N4O4 — CID 164864935

About acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane

acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane (PubChem CID 164864935) has the molecular formula C30H46N4O4 and a molecular weight of 526.72 g/mol. Its IUPAC name is acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane.

Molecular Properties

• Compound Name: acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane
• PubChem CID: 164864935
• Molecular Formula: C30H46N4O4
• Molecular Weight: 526.72 g/mol
• Exact Mass: 526.35
• IUPAC Name: acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane
• SMILES: C#C.C#C.CCOC.Cc1cccc2c1OC(C)(C)CC2NC(=O)C(C)CCN1C(=O)CC(C)(C)N=C1N
• InChI: InChI=1S/C23H34N4O3.C3H8O.2C2H2/c1-14-8-7-9-16-17(12-23(5,6)30-19(14)16)25-20(29)15(2)10-11-27-18(28)13-22(3,4)26-21(27)24;1-3-4-2;2*1-2/h7-9,15,17H,10-13H2,1-6H3,(H2,24,26)(H,25,29);3H2,1-2H3;2*1-2H
• InChIKey: CIQQMTMQQLQIBM-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 106.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.72
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane?

The IUPAC name of acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane (CID 164864935) is acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane.

What is the SMILES notation for acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane?

The canonical SMILES for acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane is C#C.C#C.CCOC.Cc1cccc2c1OC(C)(C)CC2NC(=O)C(C)CCN1C(=O)CC(C)(C)N=C1N.

What is the InChIKey of acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane?

The InChIKey is CIQQMTMQQLQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3.C3H8O.2C2H2/c1-14-8-7-9-16-17(12-23(5,6)30-19(14)16)25-20(29)15(2)10-11-27-18(28)13-22(3,4)26-21(27)24;1-3-4-2;2*1-2/h7-9,15,17H,10-13H2,1-6H3,(H2,24,26)(H,25,29);3H2,1-2H3;2*1-2H.

What are the key properties of acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane?

acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane has a molecular weight of 526.72 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-2-methyl-N-(2,2,8-trimethyl-3,4-dihydrochromen-4-yl)butanamide;methoxyethane is sourced from PubChem (CID 164864935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).