[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone

C23H24N4O2 — CID 112853478

IUPAC[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-5-7-18(14-17)16-24-21-15-20(23(28)27-10-12-29-13-11-27)25-22(26-21)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,24,25,26)
InChIKeyFEIWLWJKMJPVEN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.54
Rot. Bonds5

About [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 112853478) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID112853478
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CNc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-5-7-18(14-17)16-24-21-15-20(23(28)27-10-12-29-13-11-27)25-22(26-21)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,24,25,26)
InChIKeyFEIWLWJKMJPVEN-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 112854128
[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 60538980
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322449
1-[4-[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326662
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 112853478) is [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1cccc(CNc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FEIWLWJKMJPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-6-5-7-18(14-17)16-24-21-15-20(23(28)27-10-12-29-13-11-27)25-22(26-21)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,24,25,26).
What are the key properties of [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 388.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 112853478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).