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

C25H28ClN3O5 — CID 20745800

IUPACN-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOc1nc(Cl)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C25H28ClN3O5/c1-13-10-16-17(25(4,5)34-24(16,2)3)12-14(13)11-15-8-9-18(33-15)20(30)27-19-21(31-6)28-23(26)29-22(19)32-7/h8-10,12H,11H2,1-7H3,(H,27,30)
InChIKeyGLLNXPFOROHXFF-UHFFFAOYSA-N
MW485.97 g/mol
LogP5.39
Rot. Bonds6

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

N-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (PubChem CID 20745800) has the molecular formula C25H28ClN3O5 and a molecular weight of 485.97 g/mol. Its IUPAC name is N-(2-chloro-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-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
PubChem CID20745800
Molecular FormulaC25H28ClN3O5
Molecular Weight485.97 g/mol
Exact Mass485.17
IUPAC NameN-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
SMILESCOc1nc(Cl)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C25H28ClN3O5/c1-13-10-16-17(25(4,5)34-24(16,2)3)12-14(13)11-15-8-9-18(33-15)20(30)27-19-21(31-6)28-23(26)29-22(19)32-7/h8-10,12H,11H2,1-7H3,(H,27,30)
InChIKeyGLLNXPFOROHXFF-UHFFFAOYSA-N
XLogP5.39
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethoxy-2-phenoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10239668
2-[[4,6-dimethoxy-5-[[5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carbonyl]amino]pyrimidin-2-yl]amino]ethyl-methyloxidanium
CID 142273880
N-[2-[(2-bromophenyl)methylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10153406
N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10290110
N-[4,6-dimethoxy-2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10289950
ethyl 2-[benzyl-[4,6-dimethoxy-5-[[5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carbonyl]amino]pyrimidin-2-yl]amino]acetate
CID 10218861
5-[(6-chloro-1,1,3,3-tetramethyl-2-benzofuran-5-yl)methyl]-N-[4,6-dimethoxy-2-[3-(methylamino)propylamino]pyrimidin-5-yl]furan-2-carboxamide
CID 20745782
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
2-chloro-4,6-dimethoxy-5-nitropyrimidine;4,6-dimethoxy-2-(2-methoxyethoxy)-5-nitropyrimidine;4,6-dimethoxy-2-(2-methoxyethoxy)pyrimidin-5-amine;N-[4,6-dimethoxy-2-(2-methoxyethoxy)pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide;ethyl acetate;2-methoxyethanol
CID 160509822
methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate
CID 20745785
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
N-[2-[3-(dimethylamino)propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
CID 20745798

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-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-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide (CID 20745800) is N-(2-chloro-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-chloro-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-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide is COc1nc(Cl)nc(OC)c1NC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
The InChIKey is GLLNXPFOROHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O5/c1-13-10-16-17(25(4,5)34-24(16,2)3)12-14(13)11-15-8-9-18(33-15)20(30)27-19-21(31-6)28-23(26)29-22(19)32-7/h8-10,12H,11H2,1-7H3,(H,27,30).
What are the key properties of N-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide?
N-(2-chloro-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 485.97 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-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 20745800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).