N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide

C23H24N4O2 — CID 71794831

IUPACN-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H24N4O2/c28-23(26-21-16-22(25-17-24-21)27-11-13-29-14-12-27)15-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,20H,11-15H2,(H,24,25,26,28)
InChIKeyJCXKRUKIYSCTBC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.47
Rot. Bonds6

About N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide

N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide (PubChem CID 71794831) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide
PubChem CID71794831
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H24N4O2/c28-23(26-21-16-22(25-17-24-21)27-11-13-29-14-12-27)15-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,20H,11-15H2,(H,24,25,26,28)
InChIKeyJCXKRUKIYSCTBC-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide (CID 71794831) is N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide?
The InChIKey is JCXKRUKIYSCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(26-21-16-22(25-17-24-21)27-11-13-29-14-12-27)15-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16-17,20H,11-15H2,(H,24,25,26,28).
What are the key properties of N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide?
N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide has a molecular weight of 388.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyrimidin-4-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 71794831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).