[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

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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).