N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

C28H39N5O6Si — CID 11555984

IUPACN-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
SMILESCCC(=O)N(CCN(C)C)c1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C28H39N5O6Si/c1-10-22(34)33(16-15-32(3)4)28-30-26(36-5)24(27(31-28)37-6)29-25(35)20-13-14-23(38-20)39-21-17-19(40(7,8)9)12-11-18(21)2/h11-14,17H,10,15-16H2,1-9H3,(H,29,35)
InChIKeyNAOBJMGUFDMZGJ-UHFFFAOYSA-N
MW569.74 g/mol
LogP4.29
Rot. Bonds12

About N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (PubChem CID 11555984) has the molecular formula C28H39N5O6Si and a molecular weight of 569.74 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
PubChem CID11555984
Molecular FormulaC28H39N5O6Si
Molecular Weight569.74 g/mol
Exact Mass569.27
IUPAC NameN-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
SMILESCCC(=O)N(CCN(C)C)c1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C28H39N5O6Si/c1-10-22(34)33(16-15-32(3)4)28-30-26(36-5)24(27(31-28)37-6)29-25(35)20-13-14-23(38-20)39-21-17-19(40(7,8)9)12-11-18(21)2/h11-14,17H,10,15-16H2,1-9H3,(H,29,35)
InChIKeyNAOBJMGUFDMZGJ-UHFFFAOYSA-N
XLogP4.29
TPSA119.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.74
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (CID 11555984) is N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is CCC(=O)N(CCN(C)C)c1nc(OC)c(NC(=O)c2ccc(Oc3cc([Si](C)(C)C)ccc3C)o2)c(OC)n1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The InChIKey is NAOBJMGUFDMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O6Si/c1-10-22(34)33(16-15-32(3)4)28-30-26(36-5)24(27(31-28)37-6)29-25(35)20-13-14-23(38-20)39-21-17-19(40(7,8)9)12-11-18(21)2/h11-14,17H,10,15-16H2,1-9H3,(H,29,35).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide has a molecular weight of 569.74 g/mol, XLogP of 4.29, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-propanoylamino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 11555984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).