[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C19H23Cl2N5O3 — CID 58539110

IUPAC[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCNc1nc(Nc2cc(OC)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2Cl)ncc1Cl
InChIInChI=1S/C19H23Cl2N5O3/c1-10-8-26(9-11(2)29-10)18(27)12-5-13(20)15(6-16(12)28-4)24-19-23-7-14(21)17(22-3)25-19/h5-7,10-11H,8-9H2,1-4H3,(H2,22,23,24,25)/t10-,11+
InChIKeyJQHVZVHFXLYGPU-PHIMTYICSA-N
MW440.33 g/mol
LogP3.83
Rot. Bonds5

About [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 58539110) has the molecular formula C19H23Cl2N5O3 and a molecular weight of 440.33 g/mol. Its IUPAC name is [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID58539110
Molecular FormulaC19H23Cl2N5O3
Molecular Weight440.33 g/mol
Exact Mass439.12
IUPAC Name[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCNc1nc(Nc2cc(OC)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2Cl)ncc1Cl
InChIInChI=1S/C19H23Cl2N5O3/c1-10-8-26(9-11(2)29-10)18(27)12-5-13(20)15(6-16(12)28-4)24-19-23-7-14(21)17(22-3)25-19/h5-7,10-11H,8-9H2,1-4H3,(H2,22,23,24,25)/t10-,11+
InChIKeyJQHVZVHFXLYGPU-PHIMTYICSA-N
XLogP3.83
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxy-N-(oxetan-3-yl)benzamide
CID 58539252
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 58539103
5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 54756023
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58539126
2-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2,5-dimethoxyphenyl]-1-morpholin-4-ylethanone
CID 58539233
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 54596181
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 58539139
[5-chloro-2-(difluoromethoxy)-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 71584697
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]methanone
CID 162486508
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 89499622

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 58539110) is [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is CNc1nc(Nc2cc(OC)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2Cl)ncc1Cl.
What is the InChIKey of [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is JQHVZVHFXLYGPU-PHIMTYICSA-N. The full InChI is InChI=1S/C19H23Cl2N5O3/c1-10-8-26(9-11(2)29-10)18(27)12-5-13(20)15(6-16(12)28-4)24-19-23-7-14(21)17(22-3)25-19/h5-7,10-11H,8-9H2,1-4H3,(H2,22,23,24,25)/t10-,11+.
What are the key properties of [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 440.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-2-methoxyphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 58539110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).