4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide

C30H38N4O4 — CID 170379325

About 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide

4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 170379325) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
• PubChem CID: 170379325
• Molecular Formula: C30H38N4O4
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.29
• IUPAC Name: 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
• SMILES: CCC1(CC)CC(=O)N(C2c3cc(C(=O)N[C@@H]4c5ccccc5CC4(C)C)ccc3OCC2OC)C(N)=N1
• InChI: InChI=1S/C30H38N4O4/c1-6-30(7-2)16-24(35)34(28(31)33-30)25-21-14-18(12-13-22(21)38-17-23(25)37-5)27(36)32-26-20-11-9-8-10-19(20)15-29(26,3)4/h8-14,23,25-26H,6-7,15-17H2,1-5H3,(H2,31,33)(H,32,36)/t23?,25?,26-/m1/s1
• InChIKey: APEHMCFTYADZAR-QDQFNNJSSA-N
• XLogP: 4.29
• 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	518.66
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide?

The IUPAC name of 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide (CID 170379325) is 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide.

What is the SMILES notation for 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide?

The canonical SMILES for 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide is CCC1(CC)CC(=O)N(C2c3cc(C(=O)N[C@@H]4c5ccccc5CC4(C)C)ccc3OCC2OC)C(N)=N1.

What is the InChIKey of 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide?

The InChIKey is APEHMCFTYADZAR-QDQFNNJSSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-6-30(7-2)16-24(35)34(28(31)33-30)25-21-14-18(12-13-22(21)38-17-23(25)37-5)27(36)32-26-20-11-9-8-10-19(20)15-29(26,3)4/h8-14,23,25-26H,6-7,15-17H2,1-5H3,(H2,31,33)(H,32,36)/t23?,25?,26-/m1/s1.

What are the key properties of 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide?

4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(1S)-2,2-dimethyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 170379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).