N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C21H26FN5O — CID 56874493

IUPACN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1[nH]c2c(CNc3ncc(F)c(N4CCOCC4)n3)cc(C)cc2c1C
InChIInChI=1S/C21H26FN5O/c1-4-18-14(3)16-10-13(2)9-15(19(16)25-18)11-23-21-24-12-17(22)20(26-21)27-5-7-28-8-6-27/h9-10,12,25H,4-8,11H2,1-3H3,(H,23,24,26)
InChIKeyDUXGNJZYTLBPNL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.72
Rot. Bonds5

About N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 56874493) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID56874493
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1[nH]c2c(CNc3ncc(F)c(N4CCOCC4)n3)cc(C)cc2c1C
InChIInChI=1S/C21H26FN5O/c1-4-18-14(3)16-10-13(2)9-15(19(16)25-18)11-23-21-24-12-17(22)20(26-21)27-5-7-28-8-6-27/h9-10,12,25H,4-8,11H2,1-3H3,(H,23,24,26)
InChIKeyDUXGNJZYTLBPNL-UHFFFAOYSA-N
XLogP3.72
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56861740
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
5-fluoro-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134706688
4-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]pyrimidine-4,6-diamine
CID 56867744
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
CID 56880237
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
5-fluoro-4-morpholin-4-yl-N-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 50951243
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80812706
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
2-[2-[(2,5-dimethylphenyl)methylamino]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
CID 72878730
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 129106591

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 56874493) is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is CCc1[nH]c2c(CNc3ncc(F)c(N4CCOCC4)n3)cc(C)cc2c1C.
What is the InChIKey of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is DUXGNJZYTLBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-4-18-14(3)16-10-13(2)9-15(19(16)25-18)11-23-21-24-12-17(22)20(26-21)27-5-7-28-8-6-27/h9-10,12,25H,4-8,11H2,1-3H3,(H,23,24,26).
What are the key properties of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 383.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 56874493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).