N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C25H31F2N5O5 — CID 165385828

IUPACN-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C25H31F2N5O5/c1-15(33)29-17-5-3-16(4-6-17)14-37-23-20(27)13-28-25(31-23)30-21-12-19(26)18(11-22(21)35-2)24(34)32-7-9-36-10-8-32/h11-13,16-17H,3-10,14H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyOWLHHDQIORKEAS-UHFFFAOYSA-N
MW519.55 g/mol
LogP3.05
Rot. Bonds8

About N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385828) has the molecular formula C25H31F2N5O5 and a molecular weight of 519.55 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385828
Molecular FormulaC25H31F2N5O5
Molecular Weight519.55 g/mol
Exact Mass519.23
IUPAC NameN-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C25H31F2N5O5/c1-15(33)29-17-5-3-16(4-6-17)14-37-23-20(27)13-28-25(31-23)30-21-12-19(26)18(11-22(21)35-2)24(34)32-7-9-36-10-8-32/h11-13,16-17H,3-10,14H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyOWLHHDQIORKEAS-UHFFFAOYSA-N
XLogP3.05
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385828) is N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1.
What is the InChIKey of N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is OWLHHDQIORKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O5/c1-15(33)29-17-5-3-16(4-6-17)14-37-23-20(27)13-28-25(31-23)30-21-12-19(26)18(11-22(21)35-2)24(34)32-7-9-36-10-8-32/h11-13,16-17H,3-10,14H2,1-2H3,(H,29,33)(H,28,30,31).
What are the key properties of N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 519.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).