4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

C24H25N5O2 — CID 3235485

IUPAC4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(C(=O)N(C)C)cc3)c2c1
InChIInChI=1S/C24H25N5O2/c1-29(2)24(30)17-6-4-16(5-7-17)21-14-25-15-28-23(21)26-11-10-18-13-27-22-9-8-19(31-3)12-20(18)22/h4-9,12-15,27H,10-11H2,1-3H3,(H,25,26,28)
InChIKeyJIHMYQMFWAOMSG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.99
Rot. Bonds7

About 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (PubChem CID 3235485) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
PubChem CID3235485
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(C(=O)N(C)C)cc3)c2c1
InChIInChI=1S/C24H25N5O2/c1-29(2)24(30)17-6-4-16(5-7-17)21-14-25-15-28-23(21)26-11-10-18-13-27-22-9-8-19(31-3)12-20(18)22/h4-9,12-15,27H,10-11H2,1-3H3,(H,25,26,28)
InChIKeyJIHMYQMFWAOMSG-UHFFFAOYSA-N
XLogP3.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (CID 3235485) is 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(C(=O)N(C)C)cc3)c2c1.
What is the InChIKey of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is JIHMYQMFWAOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29(2)24(30)17-6-4-16(5-7-17)21-14-25-15-28-23(21)26-11-10-18-13-27-22-9-8-19(31-3)12-20(18)22/h4-9,12-15,27H,10-11H2,1-3H3,(H,25,26,28).
What are the key properties of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3235485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).