N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

C26H35N5O5Si — CID 11620662

IUPACN-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
SMILESCOc1nc(N2CC(N(C)C)C2)nc(OC)c1NC(=O)c1ccc(Oc2cc([Si](C)(C)C)ccc2C)o1
InChIInChI=1S/C26H35N5O5Si/c1-16-9-10-18(37(6,7)8)13-20(16)36-21-12-11-19(35-21)23(32)27-22-24(33-4)28-26(29-25(22)34-5)31-14-17(15-31)30(2)3/h9-13,17H,14-15H2,1-8H3,(H,27,32)
InChIKeyLJIQQGKXTBQMEV-UHFFFAOYSA-N
MW525.68 g/mol
LogP3.74
Rot. Bonds9

About N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide

N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (PubChem CID 11620662) has the molecular formula C26H35N5O5Si and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
PubChem CID11620662
Molecular FormulaC26H35N5O5Si
Molecular Weight525.68 g/mol
Exact Mass525.24
IUPAC NameN-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide
SMILESCOc1nc(N2CC(N(C)C)C2)nc(OC)c1NC(=O)c1ccc(Oc2cc([Si](C)(C)C)ccc2C)o1
InChIInChI=1S/C26H35N5O5Si/c1-16-9-10-18(37(6,7)8)13-20(16)36-21-12-11-19(35-21)23(32)27-22-24(33-4)28-26(29-25(22)34-5)31-14-17(15-31)30(2)3/h9-13,17H,14-15H2,1-8H3,(H,27,32)
InChIKeyLJIQQGKXTBQMEV-UHFFFAOYSA-N
XLogP3.74
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.68
LogP ≤ 53.74
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-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The IUPAC name of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide (CID 11620662) is N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is COc1nc(N2CC(N(C)C)C2)nc(OC)c1NC(=O)c1ccc(Oc2cc([Si](C)(C)C)ccc2C)o1.
What is the InChIKey of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
The InChIKey is LJIQQGKXTBQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5Si/c1-16-9-10-18(37(6,7)8)13-20(16)36-21-12-11-19(35-21)23(32)27-22-24(33-4)28-26(29-25(22)34-5)31-14-17(15-31)30(2)3/h9-13,17H,14-15H2,1-8H3,(H,27,32).
What are the key properties of N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide?
N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide has a molecular weight of 525.68 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)azetidin-1-yl]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 11620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).