5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

C27H41Cl2N3O4Si — CID 136509314

About 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 136509314) has the molecular formula C27H41Cl2N3O4Si and a molecular weight of 570.63 g/mol. Its IUPAC name is 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
• PubChem CID: 136509314
• Molecular Formula: C27H41Cl2N3O4Si
• Molecular Weight: 570.63 g/mol
• Exact Mass: 569.22
• IUPAC Name: 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
• SMILES: CCCCOc1c(C(=O)N(CCCC(C)(C)[Si](C)(C)O)C(C)C)nc(Cc2cccc(Cl)c2Cl)[nH]c1=O
• InChI: InChI=1S/C27H41Cl2N3O4Si/c1-8-9-16-36-24-23(26(34)32(18(2)3)15-11-14-27(4,5)37(6,7)35)30-21(31-25(24)33)17-19-12-10-13-20(28)22(19)29/h10,12-13,18,35H,8-9,11,14-17H2,1-7H3,(H,30,31,33)
• InChIKey: URBIXZUOGZKQNY-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 95.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.63
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?

The IUPAC name of 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (CID 136509314) is 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?

The canonical SMILES for 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is CCCCOc1c(C(=O)N(CCCC(C)(C)[Si](C)(C)O)C(C)C)nc(Cc2cccc(Cl)c2Cl)[nH]c1=O.

What is the InChIKey of 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?

The InChIKey is URBIXZUOGZKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41Cl2N3O4Si/c1-8-9-16-36-24-23(26(34)32(18(2)3)15-11-14-27(4,5)37(6,7)35)30-21(31-25(24)33)17-19-12-10-13-20(28)22(19)29/h10,12-13,18,35H,8-9,11,14-17H2,1-7H3,(H,30,31,33).

What are the key properties of 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?

5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 570.63 g/mol, XLogP of 6.45, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butoxy-2-[(2,3-dichlorophenyl)methyl]-N-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136509314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).