2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone

C23H24N4O2 — CID 167959813

IUPAC2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
SMILESCc1cc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-17-15-21(26-23(24-17)19-5-3-2-4-6-19)25-20-9-7-18(8-10-20)16-22(28)27-11-13-29-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyFLAHRPLCDKLCOV-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone

2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone (PubChem CID 167959813) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
PubChem CID167959813
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
SMILESCc1cc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-17-15-21(26-23(24-17)19-5-3-2-4-6-19)25-20-9-7-18(8-10-20)16-22(28)27-11-13-29-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,24,25,26)
InChIKeyFLAHRPLCDKLCOV-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 167754497
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
CID 56796791
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone (CID 167959813) is 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone is Cc1cc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone?
The InChIKey is FLAHRPLCDKLCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-15-21(26-23(24-17)19-5-3-2-4-6-19)25-20-9-7-18(8-10-20)16-22(28)27-11-13-29-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,24,25,26).
What are the key properties of 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone?
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone has a molecular weight of 388.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 167959813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).