N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide

C24H28N4O5 — CID 166167909

IUPACN-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
SMILESCNc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)CCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C24H28N4O5/c1-13-11-14-9-10-24(2,3)15(14)12-17(13)33-18-8-7-16(32-18)20(29)26-19-21(30-5)27-23(25-4)28-22(19)31-6/h7-8,11-12H,9-10H2,1-6H3,(H,26,29)(H,25,27,28)
InChIKeyMDYDJVSEILHQJJ-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.71
Rot. Bonds7

About N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide

N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide (PubChem CID 166167909) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
PubChem CID166167909
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
SMILESCNc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)CCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C24H28N4O5/c1-13-11-14-9-10-24(2,3)15(14)12-17(13)33-18-8-7-16(32-18)20(29)26-19-21(30-5)27-23(25-4)28-22(19)31-6/h7-8,11-12H,9-10H2,1-6H3,(H,26,29)(H,25,27,28)
InChIKeyMDYDJVSEILHQJJ-UHFFFAOYSA-N
XLogP4.71
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[3-[3-aminopropyl(methyl)amino]propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 170694663
N-[4-(2-(19F)fluoroethylamino)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 86293113
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[3-[[4,6-dimethoxy-5-[[5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carbonyl]amino]pyrimidin-2-yl]amino]propanoylamino]ethyl-methylamino]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171804021
N-[2-[3-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-oxopropyl]sulfanyl-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 171803915
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]furan-2-carboxamide
CID 11341241
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(1,1,6-trimethyl-3-propan-2-yl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
CID 58877589
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
N-[4,6-dimethoxy-2-[2-[4-[4-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butyl]piperazin-1-yl]ethylamino]pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 166167964
5-[(6-chloro-1,1-dimethyl-3,4-dihydro-2H-1-benzosilin-7-yl)oxy]-N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]furan-2-carboxamide
CID 11420699
5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane
CID 142192248
5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen
CID 142986345

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide (CID 166167909) is N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide is CNc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)CCC4(C)C)o2)c(OC)n1.
What is the InChIKey of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide?
The InChIKey is MDYDJVSEILHQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-13-11-14-9-10-24(2,3)15(14)12-17(13)33-18-8-7-16(32-18)20(29)26-19-21(30-5)27-23(25-4)28-22(19)31-6/h7-8,11-12H,9-10H2,1-6H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide?
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 166167909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).