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

C22H22N4O3 — CID 112853519

IUPAC[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Nc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O3/c1-28-18-9-5-8-17(14-18)23-20-15-19(22(27)26-10-12-29-13-11-26)24-21(25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyNHSZCLQOOHHVAU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.37
Rot. Bonds5

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

[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 112853519) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID112853519
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Nc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4O3/c1-28-18-9-5-8-17(14-18)23-20-15-19(22(27)26-10-12-29-13-11-26)24-21(25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyNHSZCLQOOHHVAU-UHFFFAOYSA-N
XLogP3.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
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-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
3-[[2-phenyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 112852979
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852780

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 112853519) is [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is COc1cccc(Nc2cc(C(=O)N3CCOCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NHSZCLQOOHHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-18-9-5-8-17(14-18)23-20-15-19(22(27)26-10-12-29-13-11-26)24-21(25-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,23,24,25).
What are the key properties of [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 390.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 112853519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).