N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine

C25H22F4N6O2 — CID 178034906

IUPACN-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine
SMILESC[C@H]1CN(Cc2ccc(-c3ccnc(Nc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)c(F)c2)CCO1
InChIInChI=1S/C25H22F4N6O2/c1-14-12-35(8-9-36-14)13-15-2-4-17(18(26)10-15)20-6-7-30-25(31-20)32-21-5-3-16(11-19(21)27)23-33-34-24(37-23)22(28)29/h2-7,10-11,14,22H,8-9,12-13H2,1H3,(H,30,31,32)/t14-/m0/s1
InChIKeyCXSQQHGIRVJANH-AWEZNQCLSA-N
MW514.48 g/mol
LogP5.37
Rot. Bonds7

About N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine

N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine (PubChem CID 178034906) has the molecular formula C25H22F4N6O2 and a molecular weight of 514.48 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine
PubChem CID178034906
Molecular FormulaC25H22F4N6O2
Molecular Weight514.48 g/mol
Exact Mass514.17
IUPAC NameN-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine
SMILESC[C@H]1CN(Cc2ccc(-c3ccnc(Nc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)c(F)c2)CCO1
InChIInChI=1S/C25H22F4N6O2/c1-14-12-35(8-9-36-14)13-15-2-4-17(18(26)10-15)20-6-7-30-25(31-20)32-21-5-3-16(11-19(21)27)23-33-34-24(37-23)22(28)29/h2-7,10-11,14,22H,8-9,12-13H2,1H3,(H,30,31,32)/t14-/m0/s1
InChIKeyCXSQQHGIRVJANH-AWEZNQCLSA-N
XLogP5.37
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine 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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine (CID 178034906) is N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine is C[C@H]1CN(Cc2ccc(-c3ccnc(Nc4ccc(-c5nnc(C(F)F)o5)cc4F)n3)c(F)c2)CCO1.
What is the InChIKey of N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine?
The InChIKey is CXSQQHGIRVJANH-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H22F4N6O2/c1-14-12-35(8-9-36-14)13-15-2-4-17(18(26)10-15)20-6-7-30-25(31-20)32-21-5-3-16(11-19(21)27)23-33-34-24(37-23)22(28)29/h2-7,10-11,14,22H,8-9,12-13H2,1H3,(H,30,31,32)/t14-/m0/s1.
What are the key properties of N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine?
N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine has a molecular weight of 514.48 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-4-[2-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 178034906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).