N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol

C32H46N4O4 — CID 168919178

About N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol

N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol (PubChem CID 168919178) has the molecular formula C32H46N4O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol.

Molecular Properties

• Compound Name: N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
• PubChem CID: 168919178
• Molecular Formula: C32H46N4O4
• Molecular Weight: 550.74 g/mol
• Exact Mass: 550.35
• IUPAC Name: N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
• SMILES: CC.CC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)c2cc(CCCCC3CC(=O)NC(N)=N3)ccc2O1.CO
• InChI: InChI=1S/C29H36N4O3.C2H6.CH4O/c1-29(2)17-24(32-27(35)21-12-11-19-7-5-8-20(19)15-21)23-14-18(10-13-25(23)36-29)6-3-4-9-22-16-26(34)33-28(30)31-22;2*1-2/h10-15,22,24H,3-9,16-17H2,1-2H3,(H,32,35)(H3,30,31,33,34);1-2H3;2H,1H3
• InChIKey: QZBMHGZHBIYQPA-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 126.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.74
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol?

The IUPAC name of N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol (CID 168919178) is N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol.

What is the SMILES notation for N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol?

The canonical SMILES for N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol is CC.CC1(C)CC(NC(=O)c2ccc3c(c2)CCC3)c2cc(CCCCC3CC(=O)NC(N)=N3)ccc2O1.CO.

What is the InChIKey of N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol?

The InChIKey is QZBMHGZHBIYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3.C2H6.CH4O/c1-29(2)17-24(32-27(35)21-12-11-19-7-5-8-20(19)15-21)23-14-18(10-13-25(23)36-29)6-3-4-9-22-16-26(34)33-28(30)31-22;2*1-2/h10-15,22,24H,3-9,16-17H2,1-2H3,(H,32,35)(H3,30,31,33,34);1-2H3;2H,1H3.

What are the key properties of N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol?

N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol has a molecular weight of 550.74 g/mol, XLogP of 4.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol is sourced from PubChem (CID 168919178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).