N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

C34H40N4O6 — CID 10153251

IUPACN-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESC=C(C)CN(Cc1ccco1)c1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1
InChIInChI=1S/C34H40N4O6/c1-20(2)18-38(19-24-11-10-14-42-24)32-36-30(40-8)28(31(37-32)41-9)35-29(39)27-13-12-23(43-27)16-22-17-26-25(15-21(22)3)33(4,5)44-34(26,6)7/h10-15,17H,1,16,18-19H2,2-9H3,(H,35,39)
InChIKeyXWUQLDKNXGAPBB-UHFFFAOYSA-N
MW600.72 g/mol
LogP6.91
Rot. Bonds11

About N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide

N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (PubChem CID 10153251) has the molecular formula C34H40N4O6 and a molecular weight of 600.72 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
PubChem CID10153251
Molecular FormulaC34H40N4O6
Molecular Weight600.72 g/mol
Exact Mass600.29
IUPAC NameN-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESC=C(C)CN(Cc1ccco1)c1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1
InChIInChI=1S/C34H40N4O6/c1-20(2)18-38(19-24-11-10-14-42-24)32-36-30(40-8)28(31(37-32)41-9)35-29(39)27-13-12-23(43-27)16-22-17-26-25(15-21(22)3)33(4,5)44-34(26,6)7/h10-15,17H,1,16,18-19H2,2-9H3,(H,35,39)
InChIKeyXWUQLDKNXGAPBB-UHFFFAOYSA-N
XLogP6.91
TPSA112.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (CID 10153251) is N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is C=C(C)CN(Cc1ccco1)c1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The InChIKey is XWUQLDKNXGAPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O6/c1-20(2)18-38(19-24-11-10-14-42-24)32-36-30(40-8)28(31(37-32)41-9)35-29(39)27-13-12-23(43-27)16-22-17-26-25(15-21(22)3)33(4,5)44-34(26,6)7/h10-15,17H,1,16,18-19H2,2-9H3,(H,35,39).
What are the key properties of N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide has a molecular weight of 600.72 g/mol, XLogP of 6.91, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 10153251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).