[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone

C23H24N4O2 — CID 3050091

IUPAC[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)24-22(18-6-4-3-5-7-18)26-21(16)25-20-10-8-19(9-11-20)23(28)27-12-14-29-15-13-27/h3-11H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyXUDJLUAENMFVRE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.98
Rot. Bonds4

About [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 3050091) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID3050091
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C23H24N4O2/c1-16-17(2)24-22(18-6-4-3-5-7-18)26-21(16)25-20-10-8-19(9-11-20)23(28)27-12-14-29-15-13-27/h3-11H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyXUDJLUAENMFVRE-UHFFFAOYSA-N
XLogP3.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 3050091) is [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone is Cc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1C.
What is the InChIKey of [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is XUDJLUAENMFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-17(2)24-22(18-6-4-3-5-7-18)26-21(16)25-20-10-8-19(9-11-20)23(28)27-12-14-29-15-13-27/h3-11H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 388.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).