N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C20H23N5O2 — CID 90680607

IUPACN-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1=Nc2ccccc2C1CCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H23N5O2/c1-14-16(17-4-2-3-5-18(17)24-14)6-7-21-19(26)15-12-22-20(23-13-15)25-8-10-27-11-9-25/h2-5,12-13,16H,6-11H2,1H3,(H,21,26)
InChIKeyXMJMAFVJDUWFEO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 90680607) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID90680607
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1=Nc2ccccc2C1CCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H23N5O2/c1-14-16(17-4-2-3-5-18(17)24-14)6-7-21-19(26)15-12-22-20(23-13-15)25-8-10-27-11-9-25/h2-5,12-13,16H,6-11H2,1H3,(H,21,26)
InChIKeyXMJMAFVJDUWFEO-UHFFFAOYSA-N
XLogP2.32
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 90680607) is N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is CC1=Nc2ccccc2C1CCNC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XMJMAFVJDUWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-16(17-4-2-3-5-18(17)24-14)6-7-21-19(26)15-12-22-20(23-13-15)25-8-10-27-11-9-25/h2-5,12-13,16H,6-11H2,1H3,(H,21,26).
What are the key properties of N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-3H-indol-3-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 90680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).