5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

C23H25N5O — CID 3232824

IUPAC5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C23H25N5O/c1-28(2)18-6-4-16(5-7-18)21-14-24-15-27-23(21)25-11-10-17-13-26-22-9-8-19(29-3)12-20(17)22/h4-9,12-15,26H,10-11H2,1-3H3,(H,24,25,27)
InChIKeyDBGGBZZVFXIECK-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.35
Rot. Bonds7

About 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3232824) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3232824
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C23H25N5O/c1-28(2)18-6-4-16(5-7-18)21-14-24-15-27-23(21)25-11-10-17-13-26-22-9-8-19(29-3)12-20(17)22/h4-9,12-15,26H,10-11H2,1-3H3,(H,24,25,27)
InChIKeyDBGGBZZVFXIECK-UHFFFAOYSA-N
XLogP4.35
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3233254
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3232604
7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 57329531
2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233226
2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3235047
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 71754627
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3232824) is 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DBGGBZZVFXIECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-28(2)18-6-4-16(5-7-18)21-14-24-15-27-23(21)25-11-10-17-13-26-22-9-8-19(29-3)12-20(17)22/h4-9,12-15,26H,10-11H2,1-3H3,(H,24,25,27).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 387.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3232824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).