4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide

C26H30N4O4 — CID 163222603

About 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide

4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 163222603) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
• PubChem CID: 163222603
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.23
• IUPAC Name: 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
• SMILES: COC1COc2ccc(C(=O)NC3CCc4ccccc43)cc2C1N1C(=O)CC(C)(C)N=C1N
• InChI: InChI=1S/C26H30N4O4/c1-26(2)13-22(31)30(25(27)29-26)23-18-12-16(9-11-20(18)34-14-21(23)33-3)24(32)28-19-10-8-15-6-4-5-7-17(15)19/h4-7,9,11-12,19,21,23H,8,10,13-14H2,1-3H3,(H2,27,29)(H,28,32)
• InChIKey: LCSBXVIFSCQUKJ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 106.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide (CID 163222603) is 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide.

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

The canonical SMILES for 4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide is COC1COc2ccc(C(=O)NC3CCc4ccccc43)cc2C1N1C(=O)CC(C)(C)N=C1N.

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

The InChIKey is LCSBXVIFSCQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-26(2)13-22(31)30(25(27)29-26)23-18-12-16(9-11-20(18)34-14-21(23)33-3)24(32)28-19-10-8-15-6-4-5-7-17(15)19/h4-7,9,11-12,19,21,23H,8,10,13-14H2,1-3H3,(H2,27,29)(H,28,32).

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

4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.88, 4 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-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 163222603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).