[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone

C23H25N5O3 — CID 68754670

IUPAC[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Nc2ncc(C)c(Nc3ccccc3)n2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25N5O3/c1-16-15-24-23(27-21(16)25-18-6-4-3-5-7-18)26-19-12-17(13-20(14-19)30-2)22(29)28-8-10-31-11-9-28/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyYPJXJXUEZGMALM-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.75
Rot. Bonds6

About [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone

[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 68754670) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID68754670
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Nc2ncc(C)c(Nc3ccccc3)n2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C23H25N5O3/c1-16-15-24-23(27-21(16)25-18-6-4-3-5-7-18)26-19-12-17(13-20(14-19)30-2)22(29)28-8-10-31-11-9-28/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyYPJXJXUEZGMALM-UHFFFAOYSA-N
XLogP3.75
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

3-[[5-methyl-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 91343787
[4-[[4-[3-[(tert-butylamino)-hydroxy-methyl-oxo-λ6-sulfanyl]anilino]-5-methylpyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 143453109
4-[4-[[4-(3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]phenoxy]piperidine-1-carboxylic acid
CID 66637738
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
5-[[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659864
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
[6-(3-methoxyanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853519
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828

Frequently Asked Questions

What is the IUPAC name of [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone (CID 68754670) is [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc(Nc2ncc(C)c(Nc3ccccc3)n2)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is YPJXJXUEZGMALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-15-24-23(27-21(16)25-18-6-4-3-5-7-18)26-19-12-17(13-20(14-19)30-2)22(29)28-8-10-31-11-9-28/h3-7,12-15H,8-11H2,1-2H3,(H2,24,25,26,27).
What are the key properties of [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone?
[3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 419.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-anilino-5-methylpyrimidin-2-yl)amino]-5-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68754670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).