3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide

C24H27N5O2 — CID 90456451

IUPAC3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide
SMILESCCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H27N5O2/c1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyDBWCYBFKPOSZQS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.97
Rot. Bonds6

About 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide

3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide (PubChem CID 90456451) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide
PubChem CID90456451
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide
SMILESCCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H27N5O2/c1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyDBWCYBFKPOSZQS-UHFFFAOYSA-N
XLogP3.97
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide (CID 90456451) is 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide is CCNc1nc(-c2cc(C(=O)Nc3ccccc3)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide?
The InChIKey is DBWCYBFKPOSZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-25-24-27-21(16-22(28-24)29-11-13-31-14-12-29)20-15-18(10-9-17(20)2)23(30)26-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide?
3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 90456451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).