N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide

C30H41N5O4 — CID 142273972

About N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide

N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide (PubChem CID 142273972) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide
• PubChem CID: 142273972
• Molecular Formula: C30H41N5O4
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.32
• IUPAC Name: N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide
• SMILES: COc1nc(NCCCN(C)C)[nH]c(=O)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)CC3(C)C)o1
• InChI: InChI=1S/C30H41N5O4/c1-18-14-21-22(30(4,5)17-29(21,2)3)16-19(18)15-20-10-11-23(39-20)25(36)32-24-26(37)33-28(34-27(24)38-8)31-12-9-13-35(6)7/h10-11,14,16H,9,12-13,15,17H2,1-8H3,(H,32,36)(H2,31,33,34,37)
• InChIKey: CEUWRFBICLILEX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 112.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide (CID 142273972) is N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide is COc1nc(NCCCN(C)C)[nH]c(=O)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)CC3(C)C)o1.

What is the InChIKey of N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide?

The InChIKey is CEUWRFBICLILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O4/c1-18-14-21-22(30(4,5)17-29(21,2)3)16-19(18)15-20-10-11-23(39-20)25(36)32-24-26(37)33-28(34-27(24)38-8)31-12-9-13-35(6)7/h10-11,14,16H,9,12-13,15,17H2,1-8H3,(H,32,36)(H2,31,33,34,37).

What are the key properties of N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide?

N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(dimethylamino)propylamino]-4-methoxy-6-oxo-1H-pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2H-inden-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 142273972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).