[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H32FN5O4 — CID 165385941

IUPAC[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCNC1CCC(COc2ccnc(Nc3cc(F)c(C(=O)N4CCOCC4)cc3OC)n2)CC1
InChIInChI=1S/C24H32FN5O4/c1-26-17-5-3-16(4-6-17)15-34-22-7-8-27-24(29-22)28-20-14-19(25)18(13-21(20)32-2)23(31)30-9-11-33-12-10-30/h7-8,13-14,16-17,26H,3-6,9-12,15H2,1-2H3,(H,27,28,29)
InChIKeyATCPUFNYCSHKJN-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.00
Rot. Bonds8

About [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 165385941) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID165385941
Molecular FormulaC24H32FN5O4
Molecular Weight473.55 g/mol
Exact Mass473.24
IUPAC Name[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCNC1CCC(COc2ccnc(Nc3cc(F)c(C(=O)N4CCOCC4)cc3OC)n2)CC1
InChIInChI=1S/C24H32FN5O4/c1-26-17-5-3-16(4-6-17)15-34-22-7-8-27-24(29-22)28-20-14-19(25)18(13-21(20)32-2)23(31)30-9-11-33-12-10-30/h7-8,13-14,16-17,26H,3-6,9-12,15H2,1-2H3,(H,27,28,29)
InChIKeyATCPUFNYCSHKJN-UHFFFAOYSA-N
XLogP3.00
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

Bi 2536
CID 11364421
Ifebemtinib
CID 46207957
Tak-960
CID 53357478
Ro3280
CID 25015677
Volasertib
CID 10461508
Gne-7915
CID 58539171
(4-{[4-(Cyclopropylamino)-5-(Trifluoromethyl)pyrimidin-2-Yl]amino}-2-Fluoro-5-Methoxyphenyl)(Morpholin-4-Yl)methanone
CID 71451847
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
2-(Methylamino)pyrimidine 58
CID 16108997

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 165385941) is [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is CNC1CCC(COc2ccnc(Nc3cc(F)c(C(=O)N4CCOCC4)cc3OC)n2)CC1.
What is the InChIKey of [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ATCPUFNYCSHKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O4/c1-26-17-5-3-16(4-6-17)15-34-22-7-8-27-24(29-22)28-20-14-19(25)18(13-21(20)32-2)23(31)30-9-11-33-12-10-30/h7-8,13-14,16-17,26H,3-6,9-12,15H2,1-2H3,(H,27,28,29).
What are the key properties of [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 473.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-methoxy-4-[[4-[[4-(methylamino)cyclohexyl]methoxy]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165385941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).